Basic Information | Post buying leads | Suppliers |
Name |
Adenosine,N-cyclohexyl-2'-O-methyl- (9CI) |
EINECS | N/A |
CAS No. | 130714-47-5 | Density | 1.59 g/cm3 |
PSA | 114.55000 | LogP | 0.90950 |
Solubility | N/A | Melting Point |
N/A |
Formula | C17H25N5O4 | Boiling Point | 647.2 °C at 760 mmHg |
Molecular Weight | 363.4115 | Flash Point | 345.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
SDZ-WAG994;WAG 994; |
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 C17H25N5O4 and 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