C21H21N3O6 Thymidine, α - [(1-naphthalenylmethyl) amino] - α-oxo- (ACI)

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Bayanin Abu

Lambar Rijistar CAS

1262015-90-6

Mabuɗin Abubuwan Jiki	Daraja	Sharadi
Nauyin Kwayoyin Halitta	411.41	-
Girma (An annabta)	1.460± 0.06 g/cm3	Zazzabi: 20 ° C; Latsa: 760 Torr
pKa (An annabta)	8.23± 0.10	Mafi yawan zafin jiki: 25 ° C

Sauran Sunaye da Masu Ganewa

MURMUSHI na Canonical

O=C1NC(=O)N(C=C1C(=O)NCC2=CC=CC=3C=CC=CC32)C4OC(CO)C(O)C4

MURMUSHI

O=C1N(C=C(C(NCC=2C3=C(C=CC2)C=CC=C3=O)C(=O)N1)[C@@H]4O[C@H](CO)[C@@H](O)C4

InChi

InChi= 1S/C21H21N3O6/c25-11-17-16(26)8-18(30-17)24-10-15(20(28)23-21(24)29)19(27)22-9-13-6-3-5-12-13-13-13-14-13-14-12-13 7,10,16-18,25-26H,8-9,11H2,(H,22,27)(H,23,28,29)/t16-,17+,18+/m0/s1

InChi Key

UDHOSZAWIHGTB-RCCFBDPRSA-N

3 Wasu Sunaye na wannan Abu

α - [(1-Naphthalenylmethyl)amino] - α -oxothymidine (ACI); (NapdU); 87: PN: WO2020081510 SEQID: 87 da'awar jeri

Properties akwai
Halittu
Chemical
Yawan yawa
Lipinski
Tsarin Yanayi

Halittu

Dukiya	Daraja	Sharadi	Source
Factor na Bioconcentration	3.23	pH da 1; Zazzabi: 25 ° C	(1) ACD
Factor na Bioconcentration	3.23	pH da 2; Zazzabi: 25 ° C	(1) ACD
Factor na Bioconcentration	3.23	pH da 3; Zazzabi: 25 ° C	(1) ACD
Factor na Bioconcentration	3.23	pH da 4; Zazzabi: 25 ° C	(1) ACD
Factor na Bioconcentration	3.23	pH da 5; Zazzabi: 25 ° C	(1) ACD
Factor na Bioconcentration	3.19	pH da 6; Zazzabi: 25 ° C	(1) ACD
Factor na Bioconcentration	2.85	pH da 7; Zazzabi: 25 ° C	(1) ACD
Factor na Bioconcentration	1.40	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 80.5 pH 1; Zazzabi: 25 °C (1) ACD

Koc 80.5 pH 2; Zazzabi: 25 °C (1) ACD

Koc 80.5 pH 3; Zazzabi: 25 °C (1) ACD

Koc 80.5 pH 4; Zazzabi: 25 °C (1) ACD

Koc 80.4 pH 5; Zazzabi: 25 °C (1) ACD

Koc 79.5 pH 6; Zazzabi: 25 °C (1) ACD

Koc 71.1 pH 7; Zazzabi: 25 °C (1) ACD

Koc 34.9 pH 8; Zazzabi: 25 °C (1) ACD

Koc 6.35 pH 9; Zazzabi: 25 °C (1) ACD

Koc 1.39 pH 10; Zazzabi: 25 °C (1) ACD

logD 0.97 pH 1; Zazzabi: 25 °C (1) ACD

logD 0.97 pH 2; Zazzabi: 25 °C (1) ACD

Dukiya	Daraja	Sharadi	Source
logD	0.97	pH da 3; Zazzabi: 25 ° C	(1) ACD
logD	0.97	pH da 4; Zazzabi: 25 ° C	(1) ACD
logD	0.97	pH da 5; Zazzabi: 25 ° C	(1) ACD
logD	0.97	pH da 6; Zazzabi: 25 ° C	(1) ACD
logD	0.92	pH da 7; Zazzabi: 25 ° C	(1) ACD
logD	0.61	pH da 8; Zazzabi: 25 ° C	(1) ACD
logD	-0.13	pH da 9; Zazzabi: 25 ° C	(1) ACD
logD	-0.79	pH 10; Zazzabi: 25 ° C	(1) ACD
logP	0.973± 0.586	Zazzabi: 25 ° C	(1) ACD
Mass Intrinsic Solubility	5.3 x 10-3 g/L	Zazzabi: 25 ° C	(1) ACD
Mass Solubility	5.3 x 10-3 g/L	pH da 1; Zazzabi: 25 ° C	(1) ACD
Mass Solubility	5.3 x 10-3 g/L	pH da 2; Zazzabi: 25 ° C	(1) ACD
Mass Solubility	5.3 x 10-3 g/L	pH da 3; Zazzabi: 25 ° C	(1) ACD
Mass Solubility	5.3 x 10-3 g/L	pH da 4; Zazzabi: 25 ° C	(1) ACD
Mass Solubility	5.3 x 10-3 g/L	pH da 5; Zazzabi: 25 ° C	(1) ACD
Mass Solubility	5.3 x 10-3 g/L	pH da 6; Zazzabi: 25 ° C	(1) ACD
Mass Solubility	5.8 x 10-3 g/L	pH da 7; Zazzabi: 25 ° C	(1) ACD
Mass Solubility	0.012 g/L	pH da 8; Zazzabi: 25 ° C	(1) ACD
Mass Solubility	0.066 g/L	pH da 9; Zazzabi: 25 ° C	(1) ACD
Mass Solubility	0.30 g/L	pH 10; Zazzabi: 25 ° C	(1) ACD
Mass Solubility	5.3 x 10-3 g/L	Ruwan da ba a buƙata ba pH 6.37; Zazzabi: 25 ° C	(1) ACD
Solubility na Ciki na Molar	1.3 x 10-5 mol/L	Zazzabi: 25 ° C	(1) ACD
Solubility na Molar	1.3 x 10-5 mol/L	pH da 1; Zazzabi: 25 ° C	(1) ACD
Solubility na Molar	1.3 x 10-5 mol/L	pH da 2; Zazzabi: 25 ° C	(1) ACD
Solubility na Molar	1.3 x 10-5 mol/L	pH da 3; Zazzabi: 25 ° C	(1) ACD
Solubility na Molar	1.3 x 10-5 mol/L	pH da 4; Zazzabi: 25 ° C	(1) ACD
Solubility na Molar	1.3 x 10-5 mol/L	pH da 5; Zazzabi: 25 ° C	(1) ACD
Solubility na Molar	1.3 x 10-5 mol/L	pH da 6; Zazzabi: 25 ° C	(1) ACD
Solubility na Molar	1.4 x 10-5 mol/L	pH da 7; Zazzabi: 25 ° C	(1) ACD
Solubility na Molar	2.9 x 10-5 mol/L	pH da 8; Zazzabi: 25 ° C	(1) ACD
Solubility na Molar	1.6 x 10-4 mol/L	pH da 9; Zazzabi: 25 ° C	(1) ACD
Solubility na Molar	7.4 x 10-4 mol/L	pH 10; Zazzabi: 25 ° C	(1) ACD

Dukiya	Daraja	Sharadi	Source
Solubility na Molar	1.3 x 10-5 mol/L	Ruwan da ba a buƙata ba pH 6.37; Zazzabi: 25 ° C	(1) ACD
Nauyin Kwayoyin Halitta	411.41
pKa	8.23± 0.10	Mafi yawan zafin jiki: 25 ° C	(1) ACD
pKa	-1.90±0.20	Mafi Asalin Zazzabi: 25 ° C	(1) ACD

Yawan yawa

Dukiya	Daraja	Sharadi	Source
Yawan yawa	1.460± 0.06 g/cm3	Zazzabi: 20 ° C; Latsa: 760 Torr	(1) ACD
Ƙarar Molar	281.6± 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	0.973± 0.586	Zazzabi: 25 ° C	(1) ACD
Nauyin Kwayoyin Halitta	411.41