C17h19n3o6 thymidine, α -oxo- α - [(phenylmethyl) amino] - (aci)

Basic Information:

Mitte inscriptio nobis

Product Detail

Product Tags

Substantia detail

Cas Subcriptio Number

944268-75-1

Key physica proprietatibus	Valor	Conditio
Pondus	361,35	-
Density (praedicta)	1.459 ± 0.06 G / CM3	Temp: XX ° C; Press: DCCLX Torr
Pka (praedicta)	8,27 ± 0.10	Most Acidic Temp: XXV ° C

Alia nomina et identifiers

Canonica ridet

O = c1nc (o =) N (c = c1c (o =) = cc2 = NCC = cc2) C3OC (co) C (o) C3

Isomeric smiles

O = C1N ([C @@] 2o [C @ h] (co) [C @@] (o) C = c3) = o) = c (= o) = o) C (= o) = o) C (= o) = o) C (= o) = o) C (= o) = o) C (= o) = o) C (= o) = o) C (= o) = o) C (= o) = c (= o) = c

INCHI

Inchi = 1s / c17h19n3o6 / c21-9-13-12 (XXII) 6-14 (26-13) 20-8-11 (XVI (XXIV) 19-17 (XX) XXV) XV (XXIII) 18-7-10-4-2-11-22h / H1-5,8,12-14,21-22h / H1-5,8,12-14,21-22 H2, (h, 18,23) (H, 19,24,25) / T12-, XIII +, XIV + / M0 / S1

Key Inchi

Vbryagcuexfmkm, bfhyxjousa, n

III alia nomina huius substantiae

α -Oxo-α - [(phenylmethyl) amino] thymidine (aci); (BNDU); VII: PN: Wo2020081510 Seqid: VII Sequentia

Proprietatibus praesto
Biological
Proiectus
Densitas
Lipinski
Structuram related

Biological

Res	Valor	Conditio	Fons
Bioconcentration factor	1.0	PH I; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.0	PH II; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.0	PH III; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.0	PH IV; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.0	PH V; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.0	Ph VI; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.0	PH VII; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.0	PH VIII; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.0	PH IX; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.0	PH X; Temp: XXV ° C	(I) ACD

Proiectus

Property valorem condicionem fontem

Koc 18.3 PH I; Temp: XXV ° C (I) ACD

Koc 18.3 PH II; Temp: XXV ° C (I) ACD

Koc 18.3 pH III; Temp: XXV ° C (I) ACD

Koc 18.3 PH IV; Temp: XXV ° C (I) ACD

Koc 18.3 PH V; Temp: XXV ° C (I) ACD

Koc 18.1 VI; Temp: XXV ° C (I) ACD

Koc 16.4 PH VII; Temp: XXV ° C (I) ACD

Koc 8.56 PH VIII; Temp: XXV ° C (I) ACD

Koc 1.62 PH IX; Temp: XXV ° C (I) ACD

Koc 1.0 PH X; Temp: XXV ° C (I) ACD

Logd -0.21 PH I; Temp: XXV ° C (I) ACD

Logd -0.21 PH II; Temp: XXV ° C (I) ACD

Res	Valor	Conditio	Fons
logd	-0.21	PH III; Temp: XXV ° C	(I) ACD
logd	-0.21	PH IV; Temp: XXV ° C	(I) ACD
logd	-0.21	PH V; Temp: XXV ° C	(I) ACD
logd	-0.22	Ph VI; Temp: XXV ° C	(I) ACD
logd	-0.26	PH VII; Temp: XXV ° C	(I) ACD
logd	-0.54	PH VIII; Temp: XXV ° C	(I) ACD
logd	-1.26	PH IX; Temp: XXV ° C	(I) ACD
logd	-1.95	PH X; Temp: XXV ° C	(I) ACD
logp	-0,212 ± 0.585	Temp: XXV ° C	(I) ACD
Missam intrinsecam solubility	0,13 G / l	Temp: XXV ° C	(I) ACD
Missam solubility	0,13 G / l	PH I; Temp: XXV ° C	(I) ACD
Missam solubility	0,13 G / l	PH II; Temp: XXV ° C	(I) ACD
Missam solubility	0,13 G / l	PH III; Temp: XXV ° C	(I) ACD
Missam solubility	0,13 G / l	PH IV; Temp: XXV ° C	(I) ACD
Missam solubility	0,13 G / l	PH V; Temp: XXV ° C	(I) ACD
Missam solubility	0,14 G / l	Ph VI; Temp: XXV ° C	(I) ACD
Missam solubility	0.15 G / l	PH VII; Temp: XXV ° C	(I) ACD
Missam solubility	0,29 G / l	PH VIII; Temp: XXV ° C	(I) ACD
Missam solubility	1.5 g / l	PH IX; Temp: XXV ° C	(I) ACD
Missam solubility	7.2 g / l	PH X; Temp: XXV ° C	(I) ACD
Missam solubility	0,14 G / l	Unbuffered aqua PH 5.68; Temp: XXV ° C	(I) ACD
Molaris intrinsecam solubility	10-4 Mol X 3.7 / l	Temp: XXV ° C	(I) ACD
Molaris solubility	10-4 Mol X 3.7 / l	PH I; Temp: XXV ° C	(I) ACD
Molaris solubility	10-4 Mol X 3.7 / l	PH II; Temp: XXV ° C	(I) ACD
Molaris solubility	10-4 Mol X 3.7 / l	PH III; Temp: XXV ° C	(I) ACD
Molaris solubility	10-4 Mol X 3.7 / l	PH IV; Temp: XXV ° C	(I) ACD
Molaris solubility	10-4 Mol X 3.7 / l	PH V; Temp: XXV ° C	(I) ACD
Molaris solubility	3,8 x 10-4 Mol / l	Ph VI; Temp: XXV ° C	(I) ACD
Molaris solubility	4.2 x 10-4 Mol / l	PH VII; Temp: XXV ° C	(I) ACD
Molaris solubility	8.0 X 10-4 Mol / l	PH VIII; Temp: XXV ° C	(I) ACD
Molaris solubility	X 10-3 Mol / l	PH IX; Temp: XXV ° C	(I) ACD
Molaris solubility	0.020 Mol / l	PH X; Temp: XXV ° C	(I) ACD

Res	Valor	Conditio	Fons
Molaris solubility	3,8 x 10-4 Mol / l	Unbuffered aqua PH 5.68; Temp: XXV ° C	(I) ACD
Pondus	361,35
PKA	8,27 ± 0.10	Most Acidic Temp: XXV ° C	(I) ACD
PKA	-1.66 ± 0.20	Maxime basic temp: XXV °	(I) ACD

Densitas

Res	Valor	Conditio	Fons
Densitas	1.459 ± 0.06 G / CM3	Temp: XX ° C; Press: DCCLX Torr	(I) ACD
Molaris volumine	247,5 ± 3.0 cm3 / mol	Temp: XX ° C; Press: DCCLX Torr	(I) ACD

Lipinski

Res	Valor	Conditio	Fons
Sponte Rotatable vincula	7		(I) ACD
H acceptors	9		(I) ACD
H donos	4		(I) ACD
H donator / Acceptor Sum	13		(I) ACD
logp	-0,212 ± 0.585	Temp: XXV ° C	(I) ACD
Pondus	361,35