C11H15N5O4 Adenosine, 2′ -O-methyl- (7CI, 8CI, 9CI, ACI);

Mitte ad nos inscriptio

Product Detail

CAS Subcriptio Number

2140-79-6

Key Physical Properties	Precium	Conditio
M. Pondus	281.27	-
Liquefactio Point (Experimentalis)	204-206 °C	-
Fervens (Predicted)	623.8±65.0 °C	Press: 760 Torr
Densitas (Predicted)	1.84±0.1 g/cm3	Temp: 20 °C; Press: 760 Torr
pKa (Predicta)	13.13±0.70	Most acidic Temp: 25 °C

CANONICI SMILES

OCC1OC(N2C=NC=3C(=NC=NC32)N)C(OC)C1O

Isomeric SMILES

O(C)[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](CO)[C@H]1O

InChI'

InChI= 1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-155-6-9(12)13-3-14-10(6) 16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1

InChI Key

FPUGCISOLXNPPC-IOSLPCCCSA-N

2 Alia nomina huic substantiae

2′ -O-Methyladenosine (ACI); Cordysinin B

Properties praesto
Scelerum

Property	Precium	Conditio Source
Liquefactio Point	204-206 °C	(1) CAS

(1) Martinez-Montero, Saul; Acta Societatis Organicae Chemistry (2009) (19), 3265-3271, S3265/1-S3265/23, CAplus

Spectra praesto
1 H NMR
13 C NMR
IR
Mass

Properties praesto
Biological
Chemical
Density
Lipinski
Structure Related
Scelerum

Res eae conditione Source

Bioconcentration Factor 1.99 pH 10; Temp: 25 °C (1) ACD

Property	Precium	Conditio	Source
Koc	1.0	pH 1; Temp: 25 °C	(1) ACD
Koc	1.0	pH 2; Temp: 25 °C	(1) ACD
Koc	4.54	pH 3; Temp: 25 °C	(1) ACD
Koc	26.0	pH 4; Temp: 25 °C	(1) ACD
Koc	51.0	pH 5; Temp: 25 °C	(1) ACD
Koc	56.4	pH 6; Temp: 25 °C	(1) ACD
Koc	57.0	pH 7; Temp: 25 °C	(1) ACD
Koc	57.1	pH 8; Temp: 25 °C	(1) ACD
Koc	57.1	pH 9; Temp: 25 °C	(1) ACD
Koc	57.0	pH 10; Temp: 25 °C	(1) ACD
logD	-1.70	pH 1; Temp: 25 °C	(1) ACD
logD	-1.25	pH 2; Temp: 25 °C	(1) ACD
logD	-0.40	pH 3; Temp: 25 °C	(1) ACD
logD	0.36	pH 4; Temp: 25 °C	(1) ACD
logD	0.65	pH 5; Temp: 25 °C	(1) ACD
logD	0.69	pH 6; Temp: 25 °C	(1) ACD
logD	0.70	pH 7; Temp: 25 °C	(1) ACD
logD	0.70	pH 8; Temp: 25 °C	(1) ACD
logD	0.70	pH 9; Temp: 25 °C	(1) ACD
logD	0.70	pH 10; Temp: 25 °C	(1) ACD
logP	0.697±0.596	Temp: 25 °C	(1) ACD
Missa Solubilitas intrinseca	3.7 g/L	Temp: 25 °C	(1) ACD
Missa Solubilitas	886 g/L	pH 1; Temp: 25 °C	(1) ACD
Missa Solubilitas	309 g/L	pH 2; Temp: 25 °C	(1) ACD
Missa Solubilitas	45 g/L	pH 3; Temp: 25 °C	(1) ACD
Missa Solubilitas	7.9 g/L	pH 4; Temp: 25 °C	(1) ACD
Missa Solubilitas	3.9 g/L	pH 5; Temp: 25 °C	(1) ACD
Missa Solubilitas	3.7 g/L	pH 6; Temp: 25 °C	(1) ACD
Missa Solubilitas	3.7 g/L	pH 7; Temp: 25 °C	(1) ACD

Property	Precium	Conditio	Source
Missa Solubilitas	3.7 g/L	pH 8; Temp: 25 °C	(1) ACD
Missa Solubilitas	3.7 g/L	pH 9; Temp: 25 °C	(1) ACD
Missa Solubilitas	3.7 g/L	pH 10; Temp: 25 °C	(1) ACD
Missa Solubilitas	3.7 g/L	Aquam impuberam pH 8.07; Temp: 25 °C	(1) ACD
Molares Intrinsicas Solubility	0.013 mol/L	Temp: 25 °C	(1) ACD
Molares Solubility	3.15 mol/L	pH 1; Temp: 25 °C	(1) ACD
Molares Solubility	1.10 mol/L	pH 2; Temp: 25 °C	(1) ACD
Molares Solubility	0.16 mol/L	pH 3; Temp: 25 °C	(1) ACD
Molares Solubility	0.028 mol/L	pH 4; Temp: 25 °C	(1) ACD
Molares Solubility	0.014 mol/L	pH 5; Temp: 25 °C	(1) ACD
Molares Solubility	0.013 mol/L	pH 6; Temp: 25 °C	(1) ACD
Molares Solubility	0.013 mol/L	pH 7; Temp: 25 °C	(1) ACD
Molares Solubility	0.013 mol/L	pH 8; Temp: 25 °C	(1) ACD
Molares Solubility	0.013 mol/L	pH 9; Temp: 25 °C	(1) ACD
Molares Solubility	0.013 mol/L	pH 10; Temp: 25 °C	(1) ACD
Molares Solubility	0.013 mol/L	Aquam impuberam pH 8.07; Temp: 25 °C	(1) ACD
M. Pondus	281.27
pKa	13.13±0.70	Most acidic Temp: 25 °C	(1) ACD
pKa	3.82±0.10	Most Basic Temp: 25 °C	(1) ACD
Vapor Pressura	2.02 x 10-16 Torr	Temp: 25 °C	(1) ACD

Property	Precium	Conditio Source
Superficies Polar Area	129 A2	(1) ACD