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

Zambiri Zoyambira:

Titumizireni imelo

Tsatanetsatane wa Zamalonda

Zolemba Zamalonda

Tsatanetsatane wa Mankhwala

Nambala ya Registry ya CAS

944268-75-1

Zofunika Zathupi	Mtengo	Mkhalidwe
Kulemera kwa Maselo	361.35	-
Kachulukidwe (Zonenedweratu)	1.459±0.06 g/cm3	Kutentha: 20 ° C; Press: 760 Torr
pKa (Zonenedweratu)	8.27±0.10	Kutentha Kwambiri kwa Acid: 25 ° C

Mayina Ena ndi Zizindikiritso

Canonical SMILES

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

Isomeric AMAmwetulira

O=C1N([C@@H]2O[C@H](CO)[C@@H](O)C2)C=C(C(NCC3=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 Maina ena a chinthu ichi

α -Oxo-α - [(phenylmethyl)amino]thymidine (ACI); (BndU); 7: PN: WO2020081510 SEQID: 7 zotsatizana

Katundu zilipo
Zachilengedwe
Chemical
Kuchulukana
Lipinski
Zogwirizana ndi Kapangidwe

Zachilengedwe

Katundu	Mtengo	Mkhalidwe	Gwero
Bioconcentration Factor	1.0	pH 1; Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	1.0	pH 2; Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	1.0	pH 3; Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	1.0	pH 4; Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	1.0	pH 5; Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	1.0	pH 6; Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	1.0	pH 7; Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	1.0	pH 8; Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	1.0	pH 9; Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	1.0	pH 10; Kutentha: 25 ° C	(1) ACD

Chemical

Katundu Wamtengo Woyambira Gwero

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

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

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

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

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

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

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

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

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

Koc 1.0 pH 10; Kutentha: 25 °C (1) ACD

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

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

Katundu	Mtengo	Mkhalidwe	Gwero
logD	-0.21	pH 3; Kutentha: 25 ° C	(1) ACD
logD	-0.21	pH 4; Kutentha: 25 ° C	(1) ACD
logD	-0.21	pH 5; Kutentha: 25 ° C	(1) ACD
logD	-0.22	pH 6; Kutentha: 25 ° C	(1) ACD
logD	-0.26	pH 7; Kutentha: 25 ° C	(1) ACD
logD	-0.54	pH 8; Kutentha: 25 ° C	(1) ACD
logD	-1.26	pH 9; Kutentha: 25 ° C	(1) ACD
logD	-1.95	pH 10; Kutentha: 25 ° C	(1) ACD
logP	-0.212±0.585	Kutentha: 25 ° C	(1) ACD
Mass Intrinsic Solubility	0.13g/L	Kutentha: 25 ° C	(1) ACD
Misa Solubility	0.13g/L	pH 1; Kutentha: 25 ° C	(1) ACD
Misa Solubility	0.13g/L	pH 2; Kutentha: 25 ° C	(1) ACD
Misa Solubility	0.13g/L	pH 3; Kutentha: 25 ° C	(1) ACD
Misa Solubility	0.13g/L	pH 4; Kutentha: 25 ° C	(1) ACD
Misa Solubility	0.13g/L	pH 5; Kutentha: 25 ° C	(1) ACD
Misa Solubility	0.14g/L	pH 6; Kutentha: 25 ° C	(1) ACD
Misa Solubility	0.15g/L	pH 7; Kutentha: 25 ° C	(1) ACD
Misa Solubility	0.29g/L	pH 8; Kutentha: 25 ° C	(1) ACD
Misa Solubility	1.5g/L	pH 9; Kutentha: 25 ° C	(1) ACD
Misa Solubility	7.2g/l	pH 10; Kutentha: 25 ° C	(1) ACD
Misa Solubility	0.14g/L	Madzi Osasunthika pH 5.68; Kutentha: 25 ° C	(1) ACD
Molar Intrinsic Solubility	3.7 x 10-4 mol / L	Kutentha: 25 ° C	(1) ACD
Molar Solubility	3.7 x 10-4 mol / L	pH 1; Kutentha: 25 ° C	(1) ACD
Molar Solubility	3.7 x 10-4 mol / L	pH 2; Kutentha: 25 ° C	(1) ACD
Molar Solubility	3.7 x 10-4 mol / L	pH 3; Kutentha: 25 ° C	(1) ACD
Molar Solubility	3.7 x 10-4 mol / L	pH 4; Kutentha: 25 ° C	(1) ACD
Molar Solubility	3.7 x 10-4 mol / L	pH 5; Kutentha: 25 ° C	(1) ACD
Molar Solubility	3.8 x 10-4 mol / L	pH 6; Kutentha: 25 ° C	(1) ACD
Molar Solubility	4.2 x 10-4 mol / L	pH 7; Kutentha: 25 ° C	(1) ACD
Molar Solubility	8.0 x 10-4 mol / L	pH 8; Kutentha: 25 ° C	(1) ACD
Molar Solubility	4.2 x 10-3 mol / L	pH 9; Kutentha: 25 ° C	(1) ACD
Molar Solubility	0.020 mol / L	pH 10; Kutentha: 25 ° C	(1) ACD

Katundu	Mtengo	Mkhalidwe	Gwero
Molar Solubility	3.8 x 10-4 mol / L	Madzi Osasunthika pH 5.68; Kutentha: 25 ° C	(1) ACD
Kulemera kwa Maselo	361.35
pKa	8.27±0.10	Kutentha Kwambiri kwa Acid: 25 ° C	(1) ACD
pKa	-1.66±0.20	Kutentha Kwambiri Kwambiri: 25 °C	(1) ACD

Kuchulukana

Katundu	Mtengo	Mkhalidwe	Gwero
Kuchulukana	1.459±0.06 g/cm3	Kutentha: 20 ° C; Press: 760 Torr	(1) ACD
Molar Volume	247.5±3.0cm3/mol	Kutentha: 20 ° C; Press: 760 Torr	(1) ACD

Lipinski

Katundu	Mtengo	Mkhalidwe	Gwero
Ma Bond Osinthasintha Mwaulere	7		(1) ACD
H Olandira	9		(1) ACD
H Opereka	4		(1) ACD
H Chiwerengero cha Wopereka / Wolandira	13		(1) ACD
logP	-0.212±0.585	Kutentha: 25 ° C	(1) ACD
Kulemera kwa Maselo	361.35