ChemSpider 2D Image | avinosol | C31H40N4O6

avinosol

  • Molecular FormulaC31H40N4O6
  • Average mass564.672 Da
  • Monoisotopic mass564.294800 Da
  • ChemSpider ID10481446

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

2'-Deoxy-1-(2,5-dihydroxy-3-{[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]methyl}phenyl)inosine [ACD/IUPAC Name]
2'-Désoxy-1-(2,5-dihydroxy-3-{[(1R,2S,4aS,8aS)-1,2,4a,5-tétraméthyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphtalényl]méthyl}phényl)inosine [French] [ACD/IUPAC Name]
2'-Desoxy-1-(2,5-dihydroxy-3-{[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalinyl]methyl}phenyl)inosin [German] [ACD/IUPAC Name]
avinosol
Inosine, 2'-deoxy-1-[2,5-dihydroxy-3-[[(1R,2S,4aS,8aS)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl]methyl]phenyl]- [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: 835.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.3±3.0 kJ/mol
Flash Point: 459.1±37.1 °C
Index of Refraction: 1.694
Molar Refractivity: 150.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 154.09
ACD/KOC (pH 5.5): 1281.13
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 151.26
ACD/KOC (pH 7.4): 1257.53
Polar Surface Area: 141 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 57.8±7.0 dyne/cm
Molar Volume: 390.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement