C13h35 1h-pyrano [3,4-F] Indolizine-3,6,6,6,1.TRekione-7,8
Thepa ea bohlokoa ea 'mele | Boleng | Boemo |
Boima ba Molecular | 263.25 | - |
Ntlha ea ho qhibiliha (liteko) | 177.1-178.3 ° C | - |
Sekhahla sa ho pheha (se boletsoeng esale pele) | 666.6 ± 55.0 ° C | Tobetsa: 760 Torr |
Mabenyane (a boletsoeng esale pele) | 1.50 ± 0.1 g / cm3 | Temp: 20 ° C; Tobetsa: 760 Torr |
pka (e boletsoeng esale pele) | 11.20 ± 0.20 | Boholo ba tempele ea acidic: 25 ° C |
Cannonical Smiles O = C1C2 = C1C2 = C (C = C3C (= O) CCN13) C (= O) OC2) CC
Isomerick Smiles C (C) [C @] 1 (O) C2 = C (= C2) C
Inchi
Inchi = 1
Senotlolo sa Inchi
Igkwmpvaoyvsj-zduscgkssa-n
Mabitso a mang a 5 bakeng sa ntho ena
(4s) -4-Ethyl-7,8-diydro-4-hydroxy-1h-pyrano [3,4-F] Indolizine-3,6,1Retrione (4h); 1h-pyrano [3,4-F] (4s) -4-Ethyl-4-hydroxy-7,8-diyrano [3h-pyrano [3,4-F] Indolizine-3,6) Trione; (4s) -4-Ethyl-4-
Hydroxy-7,8-diyrano [3,4-F] Indolizine-3,6,10-Trione; (S) -4-ethiny-4-hydroxy-7,8-diyrano [3h-pyrano [3,4-F] Indolizine-3,6,1Rekione (4h)
Thepa e fumanehang |
Optical le ho hasanya |
Armal |
Optical le ho hasanya
Thepa | Boleng | Boemo | Mohloli |
Matla a rotatory | +120.6 Decoge | c :.62 g / 100ml; Solvent: chloroform | (1) IC |
Matla a rotatory | +120.57 | c :.62 g / 100ml; Solvent: chlorofor; Temp: 20 ° C | (2) IC |
Matla a rotatory | +119.57 | c: 1.0 g / 100ml; Solvent: chlorofor; λ: 589.3 NM; TEMP: 25 ° C | (3) cas |
Matla a rotatory | +119.57 Disrees · m alh | c: 1.0 g / 100ml; Solvent: chlorofor; λ: Sodium D DE; TEMP: 25 ° C | (4) cas |
Matla a rotatory | +117.6 deg | c :.56 g / 100ml; Solvent: chlorofor; TEMP: 23 ° C | (5) IC |
Matla a rotatory | +1166.14 Degrees · m All / GVEM | c: 1.0 g / 100ml; Solvent: chlorofor; λ: Sodium D DE; TEMP: 26 ° C | (4) cas |
Matla a rotatory | +96 | c: 0.40 g / 100ml; Temp: 21 ° C | (6) IC |
Matla a rotatory | +77.8 Dep | c :.62 g / 100ml; Solvent: chlorofor; λ: 589.3 NM; TEMP: 25 ° C | (7) cas |
(1) Terasawa, Hirofumi; Chemenica & Phameltical Bulletin, (1989), 37 (12), 3382-5, capicom
(2) tagawa, hiroaki; EP220601, A1, 1987, Caplus
(3) Mafuri, kevin e.; Bongoli ba k'hemistri ea Orry, (1997), 62 (19), 6588-6597, capimus
(4) Watnabe, Tatsuya; Chemistry - koranta ea asian, (2013), 8 (3), 630-638, capilus
(5) Ejoma, Akio; Sengoloa sa linomoro tsa lik'hemik'hale tsa lik'hemik'hale, li-transkin "
(6) wani, manshukh c.; Lintlha tsa Tlhatlhobo ea Mefuta ea Mamelo, (1987), 30 (12), 2317-19, Caplus
(7) Kuang, Yun-Yan; Helvetica Chiimica ATA, (2010), 93 (10), 2094-2099, Capilus
Armal
Thepa | Boleng | Boemo | Mohloli | |
Ntlha ea ho qhibiliha | 183-185 ° C (Decomp) | (1) cas | ||
Ntlha ea ho qhibiliha | 177.1-178.3 ° C | (2) cas | ||
Ntlha ea ho qhibiliha | 176-177 ° C (Decomp) | (3) IC | ||
Ntlha ea ho qhibiliha | 169-170 ° C | Solvent: | Ethyl acetate | (4) IC |
(1) Kuang, Yun-Yan; Helvetica Chiimica ATA, (2010), 93 (10), 2094-2099, Capilus
(2) Henegar, kevin E.; Bongoli ba k'hemistri ea Orry, (1997), 62 (19), 6588-6597, capimus
(3) Ejoma, Akio; Sengoloa sa linomoro tsa lik'hemik'hale tsa lik'hemik'hale, li-transkin "
(4) WANI, Mansukuh C.; Lintlha tsa Tlhatlhobo ea Mefuta ea Mamelo, (1987), 30 (12), 2317-19, Caplus
Spectra e fumanehang
1h nmr
Mass
Thepa e fumanehang |
Sa tlhaho |
Lik'hemik'hale |
Letsoalo |
LIPINSSKI |
Sebopeho se amanang le |
Armal |
Sa tlhaho
Thepa | Boleng | Boemo | Mohloli |
Linkho tsa BioCentration | 1.0 | ph 1; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.0 | ph 2; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.0 | ph 3; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.0 | PH 4; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.0 | ph 5; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.0 | PH 6; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.0 | PH 7; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.0 | PH 8; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.0 | ph 9; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.0 | ph 10; TEMP: 25 ° C | (1) ACD |
.
Lik'hemik'hale
Thepa | Boleng | Boemo | Mohloli |
Koc | 7.37 | ph 1; TEMP: 25 ° C | (1) ACD |
Koc | 7.37 | ph 2; TEMP: 25 ° C | (1) ACD |
Koc | 7.37 | ph 3; TEMP: 25 ° C | (1) ACD |
Koc | 7.37 | PH 4; TEMP: 25 ° C | (1) ACD |
Koc | 7.37 | ph 5; TEMP: 25 ° C | (1) ACD |
Koc | 7.37 | PH 6; TEMP: 25 ° C | (1) ACD |
Koc | 7.37 | PH 7; TEMP: 25 ° C | (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
Koc | 7.37 | PH 8; TEMP: 25 ° C | (1) ACD |
Koc | 7.33 | ph 9; TEMP: 25 ° C | (1) ACD |
Koc | 6.94 | ph 10; TEMP: 25 ° C | (1) ACD |
logd | -0.94 | ph 1; TEMP: 25 ° C | (1) ACD |
logd | -0.94 | ph 2; TEMP: 25 ° C | (1) ACD |
logd | -0.94 | ph 3; TEMP: 25 ° C | (1) ACD |
logd | -0.94 | PH 4; TEMP: 25 ° C | (1) ACD |
logd | -0.94 | ph 5; TEMP: 25 ° C | (1) ACD |
logd | -0.94 | PH 6; TEMP: 25 ° C | (1) ACD |
logd | -0.94 | PH 7; TEMP: 25 ° C | (1) ACD |
logd | -0.94 | PH 8; TEMP: 25 ° C | (1) ACD |
logd | -0.94 | ph 9; TEMP: 25 ° C | (1) ACD |
logd | -0.96 | ph 10; TEMP: 25 ° C | (1) ACD |
Logp | -0.936 ± 0.82 | TEMP: 25 ° C | (1) ACD |
Mass Interrincic solubility | 371 g / L | TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 371 g / L | ph 1; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 371 g / L | ph 2; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 371 g / L | ph 3; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 371 g / L | PH 4; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 371 g / L | ph 5; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 371 g / L | PH 6; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 371 g / L | PH 7; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 371 g / L | PH 8; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 371 g / L | ph 9; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 392 g / l | ph 10; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 371 g / L | Metsi a se nang baahi a sa sebelisoe ph 5.53; TEMP: 25 ° C | (1) ACD |
Molala oa Molala oa Molala | 1.41 Mol / L | TEMP: 25 ° C | (1) ACD |
Molala ea lla | 1.41 Mol / L | ph 1; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 1.41 Mol / L | ph 2; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 1.41 Mol / L | ph 3; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 1.41 Mol / L | PH 4; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 1.41 Mol / L | ph 5; TEMP: 25 ° C | (1) ACD |
Thepa | Boleng | Boemo | Mohloli | |
Molala ea lla | 1.41 Mol / L | PH 6; TEMP: 25 ° C | (1) ACD | |
Molala ea lla | 1.41 Mol / L | PH 7; TEMP: 25 ° C | (1) ACD | |
Molala ea lla | 1.41 Mol / L | PH 8; TEMP: 25 ° C | (1) ACD | |
Molala ea lla | 1.41 Mol / L | ph 9; TEMP: 25 ° C | (1) ACD | |
Molala ea lla | 1.49 MOL / L | ph 10; TEMP: 25 ° C | (1) ACD | |
Molala ea lla | 1.41 Mol / L | Metsi a se nang baahi a sa sebelisoe ph 5.53; TEMP: 25 ° C | (1) ACD | |
Boima ba Molecular | 263.25 | |||
pka | 11.20 ± 0.20 | Boholo ba tempele ea acidic: 25 ° C | (1) ACD | |
pka | -2.24 ± 0.40 | Boholo ba mosebetsi oa mantlha: 25 ° C | (1) ACD | |
Khatello ea mouoane | 1.29 x 10-20 | Torr | TEMP: 25 ° C | (1) ACD |
.
Letsoalo
Thepa | Boleng | Boemo | Mohloli |
Letsoalo | 1.50 ± 0.1 g / cm3 | Temp: 20 ° C; Tobetsa: 760 Torr | (1) ACD |
Molumo oa Molalar | 174.8 ± 5.0 cm3 / mol | Temp: 20 ° C; Tobetsa: 760 Torr | (1) ACD |
.
LIPINSSKI
Thepa | Boleng | Boemo | Mohloli |
Li-litlama tse potolohileng ka bolokolohi | 2 | (1) ACD | |
H | 6 | (1) ACD | |
H donors | 1 | (1) ACD | |
H donor / Canot | 7 | (1) ACD | |
Logp | -0.936 ± 0.82 | TEMP: 25 ° C | (1) ACD |
Boima ba Molecular | 263.25 |
.
Sebopeho se amanang le
Thepa | Boleng | Boemo | Mohloli |
Sebaka sa polar. | 83.9 A2 | (1) ACD |
.
Armal
Thepa | Boleng | Boemo | Mohloli |
Poleft Point | 666.6 ± 55.0 ° C | Tobetsa: 760 Torr | (1) ACD |
Entatpy ea vaporization | 112.17 ± 6.0 KJ / Mol | Tobetsa: 760 Torr | (1) ACD |
Flash point | 357.0 ± 31.5 ° C | (1) ACD |
.
Spectra e fumanehang
1h nmr
13c nmr
Khoutu | Polelo ea kotsi | Mohloli |
H319 | E baka ho teneha ka thata | Setsi sa Europe sa Europe ea Europe (ECHA) Sekheo sa Bo-'mè le Labeding le ho ngolisa |
H302 | E kotsi haeba e metsoa | Setsi sa Europe sa Europe ea Europe (ECHA) Sekheo sa Bo-'mè le Labeding le ho ngolisa |
Tlhahisoleseling ea lekunutu ea lekunutu: Sechaba
Synonyms | ||
(S) -4-Ethyl-4-hydroxy-7,8-diyranno (3Hh-Pyranno (3,4-F) Indolizine-3,6,1Retrione | - | Sefora |
(S) -4-Ethyl-4-hydroxy-7,8-diyranno [3,4-F] Indolizine-3,6,10) -Batrione (4H) -etrione | - | Sefora |
(S) -4-ethiny-4-hydroxy-7,8-diyrano (3h-pyrano (3,4-F) Indolizin-3,6,6,10 (4H) -Barass | - | Danish, Sejeremane |
(S) -4-Ethyl-4-hydroxy-7,8-diyrano-1h-pyrano (3,4-f) Indolizine-3,6,6,6,6,.Com | - | Dutch |
(S) -4-Ethyl-4-hydroxy-7,8-diyrano [3h-pyrano [3,4-F] Indolizin-3,6,10 (4h,10 (4H) -Barass | - | Danish, Sejeremane |
(S) -4-Ethyl-4-hydroxy-7,8-diyrano [3h-pyrano [3,4-F] Indolizine-3,6,10) -Rasion | - | Dutch |
(S) -4-ethiny-4-hydroxy-7,8-diyrano [3h-pyrano [3,4-F] Indolizine-3,6,1Rekione (4h) | - | - |
(S) -4-etil-4-hidroxi-7,8-dihidro-1h-pirano | - | Sepotoketsi, Sepanish |
(S)-otil-4-hidroxi-7,8-dihidro-1h-pirano [3,4-F] Indozina-3,6,6,6,6,6,6,6,6,6,6,6,6, 3H) -Trina | - | Sepotoketsi, Sepanish |
(S)-otil-4-etil-4-ridrosti-7,8-pirano-1h-pirano (3,4-F) Indolizin-3,6,10) | - | Setaliana |
(S) -4-etil-4-Didro-7,8-Diidro-1h-Pirano [3,4-pirano [3,4-F] Indolizin-3,6,10)-3,1,10 (4H)-3H)-3H)-3 | - | Setaliana |
(S) -4-Etyl-4-hydroxi-7,8-diyrano-1h-pyrano (3,4-F) Indolizin-3,6,10 (4H) -Barsion | - | Sweden |
(S) -4-Etyl-4-hydroxi-7,8-diyrano [3h-pyrano [3,4-F] Indolizin-3,6,10 (4H) -Barass | - | Sweden |
(S)-4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano(3,4-f)indolitsiini-3,6,10(4H)-trioni | - | Sefinnishe |
(S)-4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano[3,4-f]indolitsiini-3,6,10(4H)-trioni | - | Sefinnishe |
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