ChemSpider 2D Image | 2',3',5'-Tri-O-benzoyl-2-methoxyadenosine | C32H27N5O8

2',3',5'-Tri-O-benzoyl-2-methoxyadenosine

  • Molecular FormulaC32H27N5O8
  • Average mass609.586 Da
  • Monoisotopic mass609.185974 Da
  • ChemSpider ID9585809

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2',3',5'-Tri-O-benzoyl-2-methoxyadenosin [German] [ACD/IUPAC Name]
2',3',5'-Tri-O-benzoyl-2-methoxyadenosine [ACD/IUPAC Name]
2',3',5'-Tri-O-benzoyl-2-méthoxyadénosine [French] [ACD/IUPAC Name]
Adenosine, 2-methoxy-, 2',3',5'-tribenzoate [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 816.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.7±3.0 kJ/mol
Flash Point: 447.6±37.1 °C
Index of Refraction: 1.681
Molar Refractivity: 159.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 176.60
ACD/KOC (pH 5.5): 1410.72
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 177.40
ACD/KOC (pH 7.4): 1417.11
Polar Surface Area: 167 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 59.3±7.0 dyne/cm
Molar Volume: 420.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement