C44H49N5SSSI Edenesinese, N-Benzoyl-5'-be- [14-Dimethylmethyl) Didyylsilyl] dimethylsilyl] dim
Thepa ea bohlokoa ea 'mele | Boleng | Boemo |
Boima ba Molecular | 787.98 | - |
Mabenyane (a boletsoeng esale pele) | 1.23 ± 0.1 g / cm3 | Temp: 20 ° C; Tobetsa: 760 Torr |
pka (e boletsoeng esale pele) | 7.87 ± 0.43 | Boholo ba tempele ea acidic: 25 ° C |
Cannonical smiles
O = c (NC1 = NC2 = NC2 = C1N = CC4 = CCO [CCO [C) C) C3 = 7C = CC
Isomerica e bososela
C (Oc [c @ h] 1o [C @ h] (a [C @ h] ( C (= o) c4 = cc = cc = c4) n = cn3) (C6 = CC = cc = cc
Inchi
Inchi = 1s / C44H49N5o7si / C1ord4 9) 26-544 (30-16-13-3-13-13-13-10-22- (53-5) 23-16) 23,35,37H. 267
45,46,51,51) / t35- 37-7- 38- / M1 / S1 / S1 / S1
Senotlolo sa Inchi
Dazigotasnnjpcjsjiwsa-n
Mabitso a mang a 2 bakeng sa ntho ena
N-benzoyl-5'-o- [bis (2-Met (4-Meth (1-O - [1,1); N6-benzoyl-5'-o (4,4'- dimethoxytorl) -2'-o- (Tine-buydimethyll) adenesinelle
Spectra e fumanehang
1h nmr
Hetero nmr
Thepa e fumanehang |
Sa tlhaho |
Lik'hemik'hale |
Letsoalo |
LIPINSSKI |
Sebopeho se amanang le |
Sa tlhaho
Thepa | Boleng | Boemo | Mohloli |
Linkho tsa BioCentration | 1.00 x 106 | ph 1; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.00 x 106 | ph 2; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.00 x 106 | ph 3; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.00 x 106 | PH 4; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.00 x 106 | ph 5; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.00 x 106 | PH 6; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.00 x 106 | PH 7; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.00 x 106 | PH 8; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.00 x 106 | ph 9; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 5.41 x 105 | ph 10; TEMP: 25 ° C | (1) ACD |
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Lik'hemik'hale
Thepa | Boleng | Boemo | Mohloli |
Koc | 2.01 x 106 | ph 1; TEMP: 25 ° C | (1) ACD |
Koc | 6.87 x 106 | ph 2; TEMP: 25 ° C | (1) ACD |
Koc | 9.08 x 106 | ph 3; TEMP: 25 ° C | (1) ACD |
Koc | 9.38 x 106 | PH 4; TEMP: 25 ° C | (1) ACD |
Koc | 9.39 x 106 | ph 5; TEMP: 25 ° C | (1) ACD |
Koc | 9.19 x 106 | PH 6; TEMP: 25 ° C | (1) ACD |
Koc | 7.53 x 106 | PH 7; TEMP: 25 ° C | (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
Koc | 2.73 x 106 | PH 8; TEMP: 25 ° C | (1) ACD |
Koc | 4.48 x 105 | ph 9; TEMP: 25 ° C | (1) ACD |
Koc | 1.31 x 105 | ph 10; TEMP: 25 ° C | (1) ACD |
logd | 9.62 | ph 1; TEMP: 25 ° C | (1) ACD |
logd | 10.15 | ph 2; TEMP: 25 ° C | (1) ACD |
logd | 10.27 | ph 3; TEMP: 25 ° C | (1) ACD |
logd | 10.29 | PH 4; TEMP: 25 ° C | (1) ACD |
logd | 10.29 | ph 5; TEMP: 25 ° C | (1) ACD |
logd | 10.28 | PH 6; TEMP: 25 ° C | (1) ACD |
logd | 10.19 | PH 7; TEMP: 25 ° C | (1) ACD |
logd | 9.75 | PH 8; TEMP: 25 ° C | (1) ACD |
logd | 8.97 | ph 9; TEMP: 25 ° C | (1) ACD |
logd | 8.43 | ph 10; TEMP: 25 ° C | (1) ACD |
Logp | 10.291 ± 0.708 | TEMP: 25 ° C | (1) ACD |
Mass Interrincic solubility | 1.1 x 10-6 g / l | TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 4.8 x 10-6 g / l | ph 1; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 1.4 x 10-6 g / l | ph 2; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 1.1 x 10-6 g / l | ph 3; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 1.0 x 10-6 g / l | PH 4; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 1.0 x 10-6 g / l | ph 5; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 1.0 x 10-6 g / l | PH 6; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 1.3 x 10-6 g / l | PH 7; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 3.5 x 10-6 g / l | PH 8; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 2.2 x 10-5 g / l | ph 9; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 7.6 x 10-5 g / l | ph 10; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 1.3 x 10-6 g / l | Ph ea metsi e sa sebetsoeng 7.00; TEMP: 25 ° C | (1) ACD |
Molala oa Molala oa Molala | 1.4 x 10-9 Mol / L | TEMP: 25 ° C | (1) ACD |
Molala ea lla | 6.1 x 10-9 Mol / L | ph 1; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 1.8 x 10-9 Mol / L | ph 2; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 1.4 x 10-9 Mol / L | ph 3; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 1.3 x 10-9 Mol / L | PH 4; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 1.3 x 10-9 Mol / L | ph 5; TEMP: 25 ° C | (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
Molala ea lla | 1.3 x 10-9 Mol / L | PH 6; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 1.6 x 10-9 Mol / L | PH 7; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 4.5 x 10-9 Mol / L | PH 8; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 2.8 x 10-8 MOL / L | ph 9; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 9.6 x 10-8 MOL / L | ph 10; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 1.6 x 10-9 Mol / L | Ph ea metsi e sa sebetsoeng 7.00; TEMP: 25 ° C | (1) ACD |
Boima ba Molecular | 787.98 | ||
pka | 7.87 ± 0.43 | Boholo ba tempele ea acidic: 25 ° C | (1) ACD |
pka | 1.39 ± 0.10 | Boholo ba mosebetsi oa mantlha: 25 ° C | (1) ACD |
.
Letsoalo
Thepa | Boleng | Boemo | Mohloli |
Letsoalo | 1.23 ± 0.1 g / cm3 | Temp: 20 ° C; Tobetsa: 760 Torr | (1) ACD |
Molumo oa Molalar | 639.5 ± 7.0 cm3 / mol | Temp: 20 ° C; Tobetsa: 760 Torr | (1) ACD |
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LIPINSSKI
Thepa | Boleng | Boemo | Mohloli |
Li-litlama tse potolohileng ka bolokolohi | 14 | (1) ACD | |
H | 12 | (1) ACD | |
H donors | 2 | (1) ACD | |
H donor / Canot | 14 | (1) ACD | |
Logp | 10.291 ± 0.708 | TEMP: 25 ° C | (1) ACD |
Boima ba Molecular | 787.98 |
.
Sebopeho se amanang le
Thepa | Boleng | Boemo | Mohloli |
Sebaka sa polar. | 139 A2 | (1) ACD |
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Spectra e fumanehang
1h nmr
13c nmr
Ngola molaetsa oa hau mona 'me u e romelle ho rona