Adenosine,N-cyclohexyl-2'-O-methyl- (9CI) supplier

Name
SDZWAG994
EINECS
CAS No. 130714-47-5
Density 1.59 g/cm³
Solubility
Melting Point
Formula C₁₇H₂₅N₅O₄
Boiling Point 647.2 °C at 760 mmHg
Molecular Weight 363.4115
Flash Point 345.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms SDZ-WAG994;WAG 994;
PSA 114.55000
LogP 0.90950

Adenosine,N-cyclohexyl-2'-O-methyl- (9CI) Specification

The Adenosine,N-cyclohexyl-2'-O-methyl- (9CI), with the CAS registry number 130714-47-5, is also known as N(6)-Cyclohexyl-2-O-methyladenosine. This chemical's molecular formula is C₁₇H₂₅N₅O₄and molecular weight is 363.4115. What's more, its IUPAC name is (2R,3R,4R,5R)-5-[6-(Cyclohexylamino)purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol.

Physical properties about Adenosine,N-cyclohexyl-2'-O-methyl- (9CI) are: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 2.44; (5)ACD/BCF (pH 5.5): 39.99; (6)ACD/BCF (pH 7.4): 41.85; (7)ACD/KOC (pH 5.5): 481.53; (8)ACD/KOC (pH 7.4): 503.87; (9)#H bond acceptors: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 83.76 Å²; (13)Index of Refraction: 1.729; (14)Molar Refractivity: 91.16 cm³; (15)Molar Volume: 228.4 cm³; (16)Polarizability: 36.14×10^-24cm³; (17)Surface Tension: 64.2 dyne/cm; (18)Density: 1.59 g/cm³; (19)Flash Point: 345.2 °C; (20)Enthalpy of Vaporization: 100.3 kJ/mol; (21)Boiling Point: 647.2 °C at 760 mmHg; (22)Vapour Pressure: 1.23E-17 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n3c1c(ncnc1NC2CCCCC2)n(c3)[C@@H]4O[C@@H]([C@@H](O)[C@H]4OC)CO
(2) InChI: InChI=1/C17H25N5O4/c1-25-14-13(24)11(7-23)26-17(14)22-9-20-12-15(18-8-19-16(12)22)21-10-5-3-2-4-6-10/h8-11,13-14,17,23-24H,2-7H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1
(3) InChIKey: JAKAFSGZUXCHLF-LSCFUAHRBR

Product Name

SDZWAG994

Adenosine,N-cyclohexyl-2'-O-methyl- (9CI) Specification

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