C17h9n3o6 thymivie, α -oxo- α - [tekano) amino] - (aci)

sehlahisoa

C17h9n3o6 thymivie, α -oxo- α - [tekano) amino] - (aci)

Tlhahisoleseling ea mantlha:


Lintlha tsa sehlahisoa

Li-tag tsa lihlahisoa

Lintlha tsa ntho

Nomoro ea ho re ngolisa

94422668-1

Thepa ea bohlokoa ea 'mele Boleng Boemo
Boima ba Molecular 361.315 -
Mabenyane (a boletsoeng esale pele) 1.459 ± 0.06 g / cm3 Temp: 20 ° C; Tobetsa: 760 Torr
pka (e boletsoeng esale pele) 8.27 ± 0.10 Boholo ba tempele ea acidic: 25 ° C

Mabitso a mang le khethollo

Cannonical smiles

O = C1N (= O) n (c = C1c (= O) ncc = 2c = cc2) c3

Isomerica e bososela

O = C1n ([C1n ([C @@ H] 2o [C @ H] (C @ H] (CO)

Inchi

Inchi = 1s / c1y19n3o6 / c21-9-13 (22-14) 20 (23--5,82) H2, (h, (H, 18,23) (H, 19,24,25) / t15-, 14 +, 14 + / M0 / S1

Senotlolo sa Inchi

Vbrygcuexfm-bfhyxjousa-n

Mabitso a mang a 3 bakeng sa ntho ena

α -oxo-α - [0 (Phenylmethyl) amino] Amino] moeh (Bndu); 7: Pn: Wo2020081510 seqid: 7 e tummeng

Thepa e fumanehang
Sa tlhaho
Lik'hemik'hale
Letsoalo
LIPINSSKI
Sebopeho se amanang le

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

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Lik'hemik'hale

Mohloli oa Tlhaho ea Thepa ea Thepa
Koc 18.3 ph 1; Temp: 25 ° C (1) ACD
Koc 18.3 ph 2; Temp: 25 ° C (1) ACD
Koc 18.3 ph 3; Temp: 25 ° C (1) ACD
Koc 18.3 ph 4; Temp: 25 ° C (1) ACD
Koc 18.3 ph 5; Temp: 25 ° C (1) ACD
Koc 18, ph 6; Temp: 25 ° C (1) ACD
Koc 16.: ph 7; Temp: 25 ° C (1) ACD
Koc 8.56 ph 8; Temp: 25 ° C (1) ACD
Koc 1.62 ph 9; Temp: 25 ° C (1) ACD
Koc 1.0 ph 10; Temp: 25 ° C (1) ACD
logd -0.21 ph 1; Temp: 25 ° C (1) ACD
logd -0.21 ph 2; Temp: 25 ° C (1) ACD

 

Thepa Boleng Boemo Mohloli
logd -0.21 ph 3; TEMP: 25 ° C (1) ACD
logd -0.21 PH 4; TEMP: 25 ° C (1) ACD
logd -0.21 ph 5; TEMP: 25 ° C (1) ACD
logd -0.22 PH 6; TEMP: 25 ° C (1) ACD
logd -0.26 PH 7; TEMP: 25 ° C (1) ACD
logd -0.54 PH 8; TEMP: 25 ° C (1) ACD
logd -1.26 ph 9; TEMP: 25 ° C (1) ACD
logd -1.95 ph 10; TEMP: 25 ° C (1) ACD
Logp -0.212 ± 0.585 TEMP: 25 ° C (1) ACD
Mass Interrincic solubility 0.13 g / l TEMP: 25 ° C (1) ACD
Mass Slisedity 0.13 g / l ph 1; TEMP: 25 ° C (1) ACD
Mass Slisedity 0.13 g / l ph 2; TEMP: 25 ° C (1) ACD
Mass Slisedity 0.13 g / l ph 3; TEMP: 25 ° C (1) ACD
Mass Slisedity 0.13 g / l PH 4; TEMP: 25 ° C (1) ACD
Mass Slisedity 0.13 g / l ph 5; TEMP: 25 ° C (1) ACD
Mass Slisedity 0.14 g / l PH 6; TEMP: 25 ° C (1) ACD
Mass Slisedity 0.15 g / l PH 7; TEMP: 25 ° C (1) ACD
Mass Slisedity 0.29 g / l PH 8; TEMP: 25 ° C (1) ACD
Mass Slisedity 1.5 g / l ph 9; TEMP: 25 ° C (1) ACD
Mass Slisedity 7.2 g / l ph 10; TEMP: 25 ° C (1) ACD
Mass Slisedity 0.14 g / l Phoso e sa sebetsoeng ea Ph 5.68; TEMP: 25 ° C (1) ACD
Molala oa Molala oa Molala 3.7 x 10-4 mol / l TEMP: 25 ° C (1) ACD
Molala ea lla 3.7 x 10-4 mol / l ph 1; TEMP: 25 ° C (1) ACD
Molala ea lla 3.7 x 10-4 mol / l ph 2; TEMP: 25 ° C (1) ACD
Molala ea lla 3.7 x 10-4 mol / l ph 3; TEMP: 25 ° C (1) ACD
Molala ea lla 3.7 x 10-4 mol / l PH 4; TEMP: 25 ° C (1) ACD
Molala ea lla 3.7 x 10-4 mol / l ph 5; TEMP: 25 ° C (1) ACD
Molala ea lla 3.8 x 10-4 mol / l PH 6; TEMP: 25 ° C (1) ACD
Molala ea lla 4.2 x 10-4 mol / l PH 7; TEMP: 25 ° C (1) ACD
Molala ea lla 8.0 x 10-4 mol / l PH 8; TEMP: 25 ° C (1) ACD
Molala ea lla 4.2 x 10-3 mol / L ph 9; TEMP: 25 ° C (1) ACD
Molala ea lla 0.020 Mol / L ph 10; TEMP: 25 ° C (1) ACD

 

Thepa Boleng Boemo Mohloli
Molala ea lla 3.8 x 10-4 mol / l Phoso e sa sebetsoeng ea Ph 5.68; TEMP: 25 ° C (1) ACD
Boima ba Molecular 361.315    
pka 8.27 ± 0.10 Boholo ba tempele ea acidic: 25 ° C (1) ACD
pka -1.66 ± 0.20 Boholo ba mosebetsi oa mantlha: 25 ° C (1) ACD

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Letsoalo

Thepa Boleng Boemo Mohloli
Letsoalo 1.459 ± 0.06 g / cm3 Temp: 20 ° C; Tobetsa: 760 Torr (1) ACD
Molumo oa Molalar 247.5 ± 3.0 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 7   (1) ACD
H 9   (1) ACD
H donors 4   (1) ACD
H donor / Canot 13   (1) ACD
Logp -0.212 ± 0.585 TEMP: 25 ° C (1) ACD
Boima ba Molecular 361.315    

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Sebopeho se amanang le

Thepa Boleng Mohloli oa Boemo
Sebaka sa polar. 128 A2 (1) ACD

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SIRCTRA e boletsoeng esale pele

Spectra e fumanehang
1 h nmr
13 c nmr


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