ChemSpider 2D Image | 3'-O-Methyladenosine 5'-(dihydrogen phosphate) | C11H16N5O7P

3'-O-Methyladenosine 5'-(dihydrogen phosphate)

  • Molecular FormulaC11H16N5O7P
  • Average mass361.248 Da
  • Monoisotopic mass361.078735 Da
  • ChemSpider ID34224888

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3'-O-Methyladenosin5'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
3'-O-Methyladenosine 5'-(dihydrogen phosphate) [ACD/IUPAC Name]
3'-O-Méthyladénosine-5'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Adenosine, 3'-O-methyl-, 5'-(dihydrogen phosphate) [ACD/Index Name]
((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-methoxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
60091-04-5 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.1±0.1 g/cm3
Boiling Point: 746.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 405.2±35.7 °C
Index of Refraction: 1.807
Molar Refractivity: 74.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -5.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 107.3±7.0 dyne/cm
Molar Volume: 174.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement