C20h23n5o6 adenosine, n-benzoyl, 2'-o- (II-methoxyethyl) - (9ci, aci) Featured image

C20h23n5o6 adenosine, n-benzoyl-2'-o- (II-methoxyyethyl) - (9ci, aci)

Basic Information:

Mitte inscriptio nobis

Product Detail

Product Tags

Physica proprietatibus

Key physica proprietatibus	Valor	Conditio
Pondus	429,43	-
Density (praedicta)	1.53 ± 0.1 G / CM3	Temp: XX ° C; Press: DCCLX Torr
Pka (praedicta)	13.15 ± 0.70	Most Acidic Temp: XXV ° C

Alia nomina et identifiers

Canonica risumque o = C (NC1 = NC = NC2 = C1N = CN2C3OC (co) C (o) C3OCCOC) C = cc = CC4
Isomerici risum risum (ccoc) [C @ h] I [C @@ h] (o [c @] c ^ = c IV) c4 c ^ = c IV) = c4 c ^ = c4) c4 c ^ = c IV) = c4 c ^ c4 =) CN3 =
INCHI
Inchi = 1s / c20h23n5o6 / C1-29-7-8-330-16-15 (XXVII) XIII (9-26) 31-20 (XVI) 25-11-23-14-17 (21-10-22-18 (XIV) XXV) 24-19 (XXVIII) 12-5-3-2-4-6-12 / H2-6,1 0-11,13,15-16,20,26-27h, 7-9h2,1H3 (H, 21,22,24,28) / T13-, 15-, 16-, 20- / M1 / S1
Key Inchi
Rufjmcsvnngzfb, khtyjdqrsa, n
II aliis nominibus hanc substantiam
N-benzoyl, 2'-o- (II-methoxyethyl) adenosine (aci); N6, Benzoyl, 2'-o- (II-methoxyethyl) adenosine

Experimentalem spectra

Spectra praesto
1h NMR
13c NMR

Praedixit possessiones

Proprietatibus praesto

Biological

Proiectus

Densitas

Lipinski

Structuram related

Biological

Res	Valor	Conditio	Fons
Bioconcentration factor	3.71	PH I; Temp: XXV ° C	(I) ACD
Bioconcentration factor	14.6	PH II; Temp: XXV ° C	(I) ACD
Bioconcentration factor	20.9	PH III; Temp: XXV ° C	(I) ACD
Bioconcentration factor	21,8	PH IV; Temp: XXV ° C	(I) ACD
Bioconcentration factor	21,9	PH V; Temp: XXV ° C	(I) ACD
Bioconcentration factor	21,8	Ph VI; Temp: XXV ° C	(I) ACD
Bioconcentration factor	21,4	PH VII; Temp: XXV ° C	(I) ACD
Bioconcentration factor	17,6	PH VIII; Temp: XXV ° C	(I) ACD
Bioconcentration factor	6.52	PH IX; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.08	PH X; Temp: XXV ° C	(I) ACD

Proiectus

Res	Valor	Conditio	Fons
Koc	53.2	PH I; Temp: XXV ° C	(I) ACD
Koc	CCX	PH II; Temp: XXV ° C	(I) ACD
Koc	CCXCIX	PH III; Temp: XXV ° C	(I) ACD
Koc	CCCXII	PH IV; Temp: XXV ° C	(I) ACD
Koc	CCCXIV	PH V; Temp: XXV ° C	(I) ACD
Koc	CCCXIII	Ph VI; Temp: XXV ° C	(I) ACD
Koc	CCCVI	PH VII; Temp: XXV ° C	(I) ACD
Koc	CCLIII	PH VIII; Temp: XXV ° C	(I) ACD

Res	Valor	Conditio	Fons
Koc	93.5	PH IX; Temp: XXV ° C	(I) ACD
Koc	15,5	PH X; Temp: XXV ° C	(I) ACD
logd	1.30	PH I; Temp: XXV ° C	(I) ACD
logd	1.90	PH II; Temp: XXV ° C	(I) ACD
logd	2.05	PH III; Temp: XXV ° C	(I) ACD
logd	2.07	PH IV; Temp: XXV ° C	(I) ACD
logd	2.07	PH V; Temp: XXV ° C	(I) ACD
logd	2.07	Ph VI; Temp: XXV ° C	(I) ACD
logd	2.06	PH VII; Temp: XXV ° C	(I) ACD
logd	1.98	PH VIII; Temp: XXV ° C	(I) ACD
logd	1.54	PH IX; Temp: XXV ° C	(I) ACD
logd	0,76	PH X; Temp: XXV ° C	(I) ACD
logp	2.085 ± 0.689	Temp: XXV ° C	(I) ACD
Missam intrinsecam solubility	0.030 g / l	Temp: XXV ° C	(I) ACD
Missam solubility	0.17 g / l	PH I; Temp: XXV ° C	(I) ACD
Missam solubility	0.0429 g / l	PH II; Temp: XXV ° C	(I) ACD
Missam solubility	0.030 g / l	PH III; Temp: XXV ° C	(I) ACD
Missam solubility	0.029 g / l	PH IV; Temp: XXV ° C	(I) ACD
Missam solubility	0.029 g / l	PH V; Temp: XXV ° C	(I) ACD
Missam solubility	0.029 g / l	Ph VI; Temp: XXV ° C	(I) ACD
Missam solubility	0.029 g / l	PH VII; Temp: XXV ° C	(I) ACD
Missam solubility	0.036 G / l	PH VIII; Temp: XXV ° C	(I) ACD
Missam solubility	0.094 g / l	PH IX; Temp: XXV ° C	(I) ACD
Missam solubility	0.60 g / l	PH X; Temp: XXV ° C	(I) ACD
Missam solubility	0.029 g / l	Unbuffered aqua 6,38; Temp: XXV ° C	(I) ACD
Molaris intrinsecam solubility	7.0 X 10-5 Mol / l	Temp: XXV ° C	(I) ACD
Molaris solubility	3,9 x 10-4 Mol / l	PH I; Temp: XXV ° C	(I) ACD
Molaris solubility	X00 X 10-4 MOL / l	PH II; Temp: XXV ° C	(I) ACD
Molaris solubility	7.0 X 10-5 Mol / l	PH III; Temp: XXV ° C	(I) ACD
Molaris solubility	6.7 x 10-5 Mol / l	PH IV; Temp: XXV ° C	(I) ACD
Molaris solubility	6.7 x 10-5 Mol / l	PH V; Temp: XXV ° C	(I) ACD
Molaris solubility	6.7 x 10-5 Mol / l	Ph VI; Temp: XXV ° C	(I) ACD

Res	Valor	Conditio	Fons
Molaris solubility	6,8 X 10-5 Mol / l	PH VII; Temp: XXV ° C	(I) ACD
Molaris solubility	8.3 x 10-5 Mol / l	PH VIII; Temp: XXV ° C	(I) ACD
Molaris solubility	2.2 x 10-4 Mol / l	PH IX; Temp: XXV ° C	(I) ACD
Molaris solubility	10-3 Mol 1-3 / l	PH X; Temp: XXV ° C	(I) ACD
Molaris solubility	6.7 x 10-5 Mol / l	Unbuffered aqua 6,38; Temp: XXV ° C	(I) ACD
Pondus	429,43
PKA	13.15 ± 0.70	Most Acidic Temp: XXV ° C	(I) ACD
PKA	8,80 ± 0.10	Maxime basic temp: XXV °	(I) ACD

Densitas

Res	Valor	Conditio	Fons
Densitas	1.53 ± 0.1 G / CM3	Temp: XX ° C; Press: DCCLX Torr	(I) ACD
Molaris volumine	280.3 ± 7.0 cm3 / mol	Temp: XX ° C; Press: DCCLX Torr	(I) ACD

Lipinski

Res	Valor	Conditio	Fons
Sponte Rotatable vincula	9		(I) ACD
H acceptors	11		(I) ACD
H donos	3		(I) ACD
H donator / Acceptor Sum	14		(I) ACD
logp	2.085 ± 0.689	Temp: XXV ° C	(I) ACD
Pondus	429,43