C13h19n5o5 adenosine, II, -o- (II-methoxyethyl) - (9ci, aci)

Basic Information:

Mitte inscriptio nobis

Product Detail

Product Tags

Substantia detail

Cas Subcriptio Number

168427-74-5

Key physica proprietatibus	Valor	Conditio
Pondus	325,32	-
Ferveret (praedicta)	639.0 ± 65.0 ° C	Press: DCCLX Torr
Density (praedicta)	1.70 ± 0.1 G / CM3	Temp: XX ° C; Press: DCCLX Torr
Pka (praedicta)	13.12 ± 0.70	Most Acidic Temp: XXV ° C

Alia nomina et identifiers

Canonica ridet

Wif01oc (n2c = NC = 3C (= NC32 NC =) N) C (occoc) C1O

Isomeric smiles

O (CCOC) [C @ h] I [C @@] (O [C @ h] (CO), [C. = c2) = C (n) n

INCHI

Inchi = 1s / c13h19n5o5 / c1-21-21-3-22-10-9 (XX) VII (4-19) 23-13 (X) 18-6-17-8-11 (XIV) 15-5-16-12 (VIII) XVIII / H5-7,9-10,13.130H, 2-4H2,1H3, (H2,14,15,16) / T7-, 9-, 10-, 13- / M1 / S1

Key Inchi

PudXujrjlrljiu, qyvstxnmsa, n

I aliud nomen huius substantiae

II '-O- (II-methoxyethyl) adenosine (aci)

Spectra praesto
I h NMR
XIII c NMR

Praedixit possessiones

Proprietatibus praesto
Biological
Proiectus
Densitas
Lipinski
Structuram related
Scelerum

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	1.18	PH V; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.31	Ph VI; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.32	PH VII; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.32	PH VIII; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.32	PH IX; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.32	PH X; Temp: XXV ° C	(I) ACD

Proiectus

Res	Valor	Conditio	Fons
Koc	1.0	PH I; Temp: XXV ° C	(I) ACD
Koc	1.0	PH II; Temp: XXV ° C	(I) ACD
Koc	3.39	PH III; Temp: XXV ° C	(I) ACD
Koc	19.4	PH IV; Temp: XXV ° C	(I) ACD
Koc	38.0	PH V; Temp: XXV ° C	(I) ACD
Koc	42.0	Ph VI; Temp: XXV ° C	(I) ACD
Koc	42.5	PH VII; Temp: XXV ° C	(I) ACD

Res	Valor	Conditio	Fons
Koc	42.5	PH VIII; Temp: XXV ° C	(I) ACD
Koc	42.5	PH IX; Temp: XXV ° C	(I) ACD
Koc	42.5	PH X; Temp: XXV ° C	(I) ACD
logd	-1.94	PH I; Temp: XXV ° C	(I) ACD
logd	-1.48	PH II; Temp: XXV ° C	(I) ACD
logd	-0.64	PH III; Temp: XXV ° C	(I) ACD
logd	0.12	PH IV; Temp: XXV ° C	(I) ACD
logd	0.41	PH V; Temp: XXV ° C	(I) ACD
logd	0.46	Ph VI; Temp: XXV ° C	(I) ACD
logd	0.46	PH VII; Temp: XXV ° C	(I) ACD
logd	0.46	PH VIII; Temp: XXV ° C	(I) ACD
logd	0.46	PH IX; Temp: XXV ° C	(I) ACD
logd	0.46	PH X; Temp: XXV ° C	(I) ACD
logp	0.462 ± 0.647	Temp: XXV ° C	(I) ACD
Missam intrinsecam solubility	4.2 g / l	Temp: XXV ° C	(I) ACD
Missam solubility	CMXCIX G / l	PH I; Temp: XXV ° C	(I) ACD
Missam solubility	CCCLXXXI G / l	PH II; Temp: XXV ° C	(I) ACD
Missam solubility	LV g / l	PH III; Temp: XXV ° C	(I) ACD
Missam solubility	9,4 g / l	PH IV; Temp: XXV ° C	(I) ACD
Missam solubility	4.9 g / l	PH V; Temp: XXV ° C	(I) ACD
Missam solubility	4.2 g / l	Ph VI; Temp: XXV ° C	(I) ACD
Missam solubility	4.2 g / l	PH VII; Temp: XXV ° C	(I) ACD
Missam solubility	4.2 g / l	PH VIII; Temp: XXV ° C	(I) ACD
Missam solubility	4.2 g / l	PH IX; Temp: XXV ° C	(I) ACD
Missam solubility	4.2 g / l	PH X; Temp: XXV ° C	(I) ACD
Missam solubility	4.2 g / l	Unbuffered aqua 8 8.08; Temp: XXV ° C	(I) ACD
Molaris intrinsecam solubility	0.013 MOL / l	Temp: XXV ° C	(I) ACD
Molaris solubility	3,07 MOL / l	PH I; Temp: XXV ° C	(I) ACD
Molaris solubility	Mol 1,17 / l	PH II; Temp: XXV ° C	(I) ACD
Molaris solubility	0.17 MOL / l	PH III; Temp: XXV ° C	(I) ACD
Molaris solubility	0.029 MOL / l	PH IV; Temp: XXV ° C	(I) ACD
Molaris solubility	0.015 MOL / l	PH V; Temp: XXV ° C	(I) ACD

Res	Valor	Conditio	Fons
Molaris solubility	0.013 MOL / l	Ph VI; Temp: XXV ° C	(I) ACD
Molaris solubility	0.013 MOL / l	PH VII; Temp: XXV ° C	(I) ACD
Molaris solubility	0.013 MOL / l	PH VIII; Temp: XXV ° C	(I) ACD
Molaris solubility	0.013 MOL / l	PH IX; Temp: XXV ° C	(I) ACD
Molaris solubility	0.013 MOL / l	PH X; Temp: XXV ° C	(I) ACD
Molaris solubility	0.013 MOL / l	Unbuffered aqua 8 8.08; Temp: XXV ° C	(I) ACD
Pondus	325,32
PKA	13.12 ± 0.70	Most Acidic Temp: XXV ° C	(I) ACD
PKA	3,82 ± 0.10	Maxime basic temp: XXV °	(I) ACD
Vapor	3,35 x 10-17 Torr	Temp: XXV ° C	(I) ACD

Densitas

Res	Valor	Conditio	Fons
Densitas	1.70 ± 0.1 G / CM3	Temp: XX ° C; Press: DCCLX Torr	(I) ACD
Molaris volumine	191.2 ± 7.0 CM3 / mol	Temp: XX ° C; Press: DCCLX Torr	(I) ACD

Lipinski

Res	Valor	Conditio	Fons
Sponte Rotatable vincula	8		(I) ACD
H acceptors	10		(I) ACD
H donos	4		(I) ACD
H donator / Acceptor Sum	14		(I) ACD
logp	0.462 ± 0.647	Temp: XXV ° C	(I) ACD
Pondus	325,32

Structuram related

Res	Valor	Source
Polar superficies regio	CXXXVIII A2	(I) ACD

Res	Valor	Conditio	Fons
PRAETERITUS	639.0 ± 65.0 ° C	Press: DCCLX Torr	(I) ACD
Enthalpy vaporation	99.17 ± 3.0 KJ / mol	Press: DCCLX Torr	(I) ACD
Flash Point	340.2 ± 34.3 ° C		(I) ACD