C17H19N3O6 Thymidine, α -oxo- α -[(phenylmethyl)amino] - (ACI)

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Bayanin Abu

Lambar Rijistar CAS

944268-75-1

Mabuɗin Abubuwan Jiki	Daraja	Sharadi
Nauyin Kwayoyin Halitta	361.35	-
Girma (An annabta)	1.459± 0.06 g/cm3	Zazzabi: 20 ° C; Latsa: 760 Torr
pKa (An annabta)	8.27± 0.10	Mafi yawan zafin jiki: 25 ° C

Sauran Sunaye da Masu Ganewa

MURMUSHI na Canonical

O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(CO)C(O)C3

MURMUSHI

O=C1N([C@@H]2O[C@H](CO)[C@@H](O)C2)C=C(NCC3=CC=CC=CC=C3)=O)C(= O) N1

InChi

InChi= 1S/C17H19N3O6/c21-9-13-12(22)6-14(26-13)20-8-11(16(24)19-17(20)25)15(23)18-7- 10-4-2-1-3-5-10/h1-5,8,12-14,21-22H,6-7,9 H2,(H,18,23)(H,19,24,25 )/t12-,13+,14+/m0/s1

InChi Key

VBRYAGCUEXFMKM-BFHYXJOUSA-N

3 Wasu Sunaye na wannan Abu

α -Oxo-α -[(phenylmethyl)amino]thymidine (ACI); (BndU); 7: PN: WO2020081510 SEQID: 7 da'awar jeri

Properties akwai
Halittu
Chemical
Yawan yawa
Lipinski
Tsarin Yanayi

Halittu

Dukiya	Daraja	Sharadi	Source
Factor na Bioconcentration	1.0	pH da 1; Zazzabi: 25 ° C	(1) ACD
Factor na Bioconcentration	1.0	pH da 2; Zazzabi: 25 ° C	(1) ACD
Factor na Bioconcentration	1.0	pH da 3; Zazzabi: 25 ° C	(1) ACD
Factor na Bioconcentration	1.0	pH da 4; Zazzabi: 25 ° C	(1) ACD
Factor na Bioconcentration	1.0	pH da 5; Zazzabi: 25 ° C	(1) ACD
Factor na Bioconcentration	1.0	pH da 6; Zazzabi: 25 ° C	(1) ACD
Factor na Bioconcentration	1.0	pH da 7; Zazzabi: 25 ° C	(1) ACD
Factor na Bioconcentration	1.0	pH da 8; Zazzabi: 25 ° C	(1) ACD
Factor na Bioconcentration	1.0	pH da 9; Zazzabi: 25 ° C	(1) ACD
Factor na Bioconcentration	1.0	pH 10; Zazzabi: 25 ° C	(1) ACD

Chemical

Tushen Halin Ƙimar Dukiya

koc 18.3 pH 1; Zazzabi: 25 ° C (1) ACD

Koc 18.3 pH 2; Zazzabi: 25 ° C (1) ACD

Koc 18.3 pH 3; Zazzabi: 25 ° C (1) ACD

Koc 18.3 pH 4; Zazzabi: 25 ° C (1) ACD

Koc 18.3 pH 5; Zazzabi: 25 ° C (1) ACD

Koc 18.1 pH 6; Zazzabi: 25 ° C (1) ACD

Koc 16.4 pH 7; Zazzabi: 25 ° C (1) ACD

Koc 8.56 pH 8; Zazzabi: 25 ° C (1) ACD

Koc 1.62 pH 9; Zazzabi: 25 ° C (1) ACD

koc 1.0 pH 10; Zazzabi: 25 °C (1) ACD

logD -0.21 pH 1; Zazzabi: 25 °C (1) ACD

logD -0.21 pH 2; Zazzabi: 25 ° C (1) ACD

Dukiya	Daraja	Sharadi	Source
logD	-0.21	pH da 3; Zazzabi: 25 ° C	(1) ACD
logD	-0.21	pH da 4; Zazzabi: 25 ° C	(1) ACD
logD	-0.21	pH da 5; Zazzabi: 25 ° C	(1) ACD
logD	-0.22	pH da 6; Zazzabi: 25 ° C	(1) ACD
logD	-0.26	pH da 7; Zazzabi: 25 ° C	(1) ACD
logD	-0.54	pH da 8; Zazzabi: 25 ° C	(1) ACD
logD	-1.26	pH da 9; Zazzabi: 25 ° C	(1) ACD
logD	-1.95	pH 10; Zazzabi: 25 ° C	(1) ACD
logP	-0.212± 0.585	Zazzabi: 25 ° C	(1) ACD
Mass Intrinsic Solubility	0.13 g/L	Zazzabi: 25 ° C	(1) ACD
Mass Solubility	0.13 g/L	pH da 1; Zazzabi: 25 ° C	(1) ACD
Mass Solubility	0.13 g/L	pH da 2; Zazzabi: 25 ° C	(1) ACD
Mass Solubility	0.13 g/L	pH da 3; Zazzabi: 25 ° C	(1) ACD
Mass Solubility	0.13 g/L	pH da 4; Zazzabi: 25 ° C	(1) ACD
Mass Solubility	0.13 g/L	pH da 5; Zazzabi: 25 ° C	(1) ACD
Mass Solubility	0.14 g/L	pH da 6; Zazzabi: 25 ° C	(1) ACD
Mass Solubility	0.15 g/L	pH da 7; Zazzabi: 25 ° C	(1) ACD
Mass Solubility	0.29 g/L	pH da 8; Zazzabi: 25 ° C	(1) ACD
Mass Solubility	1.5 g/L	pH da 9; Zazzabi: 25 ° C	(1) ACD
Mass Solubility	7.2 g/l	pH 10; Zazzabi: 25 ° C	(1) ACD
Mass Solubility	0.14 g/L	Ruwan da ba a buƙata ba pH 5.68; Zazzabi: 25 ° C	(1) ACD
Solubility na Ciki na Molar	3.7 x 10-4 mol/L	Zazzabi: 25 ° C	(1) ACD
Solubility na Molar	3.7 x 10-4 mol/L	pH da 1; Zazzabi: 25 ° C	(1) ACD
Solubility na Molar	3.7 x 10-4 mol/L	pH da 2; Zazzabi: 25 ° C	(1) ACD
Solubility na Molar	3.7 x 10-4 mol/L	pH da 3; Zazzabi: 25 ° C	(1) ACD
Solubility na Molar	3.7 x 10-4 mol/L	pH da 4; Zazzabi: 25 ° C	(1) ACD
Solubility na Molar	3.7 x 10-4 mol/L	pH da 5; Zazzabi: 25 ° C	(1) ACD
Solubility na Molar	3.8 x 10-4 mol/L	pH da 6; Zazzabi: 25 ° C	(1) ACD
Solubility na Molar	4.2 x 10-4 mol/L	pH da 7; Zazzabi: 25 ° C	(1) ACD
Solubility na Molar	8.0 x 10-4 mol/L	pH da 8; Zazzabi: 25 ° C	(1) ACD
Solubility na Molar	4.2 x 10-3 mol/L	pH da 9; Zazzabi: 25 ° C	(1) ACD
Solubility na Molar	0.020 mol/L	pH 10; Zazzabi: 25 ° C	(1) ACD

Dukiya	Daraja	Sharadi	Source
Solubility na Molar	3.8 x 10-4 mol/L	Ruwan da ba a buƙata ba pH 5.68; Zazzabi: 25 ° C	(1) ACD
Nauyin Kwayoyin Halitta	361.35
pKa	8.27± 0.10	Mafi yawan zafin jiki: 25 ° C	(1) ACD
pKa	-1.66±0.20	Mafi Asalin Zazzabi: 25 ° C	(1) ACD

Yawan yawa

Dukiya	Daraja	Sharadi	Source
Yawan yawa	1.459± 0.06 g/cm3	Zazzabi: 20 ° C; Latsa: 760 Torr	(1) ACD
Ƙarar Molar	247.5± 3.0 cm3/mol	Zazzabi: 20 ° C; Latsa: 760 Torr	(1) ACD

Lipinski

Dukiya	Daraja	Sharadi	Source
Ƙimar Rarraba Kyauta	7		(1) ACD
H Masu karɓa	9		(1) ACD
H Masu Ba da taimako	4		(1) ACD
H Donor/Acceptor Sum	13		(1) ACD
logP	-0.212± 0.585	Zazzabi: 25 ° C	(1) ACD
Nauyin Kwayoyin Halitta	361.35