ChemSpider 2D Image | 1-O-[(2alpha,3beta,6beta)-2,3,6,23-Tetrahydroxy-28-oxoursa-12,19-dien-28-yl]-beta-D-glucopyranose | C36H56O11

1-O-[(2α,3β,6β)-2,3,6,23-Tetrahydroxy-28-oxoursa-12,19-dien-28-yl]-β-D-glucopyranose

  • Molecular FormulaC36H56O11
  • Average mass664.823 Da
  • Monoisotopic mass664.382263 Da
  • ChemSpider ID9977206

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

1-O-[(2α,3β,6β)-2,3,6,23-Tetrahydroxy-28-oxoursa-12,19-dien-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2α,3β,6β)-2,3,6,23-Tetrahydroxy-28-oxoursa-12,19-dien-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2α,3β,6β)-2,3,6,23-Tétrahydroxy-28-oxoursa-12,19-dién-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(2α,3β,6β)-2,3,6,23-tetrahydroxy-28-oxoursa-12,19-dien-28-yl]- [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: 783.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.0±6.0 kJ/mol
Flash Point: 238.6±26.4 °C
Index of Refraction: 1.625
Molar Refractivity: 171.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 388.09
ACD/KOC (pH 5.5): 2481.77
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 388.08
ACD/KOC (pH 7.4): 2481.74
Polar Surface Area: 197 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 69.8±5.0 dyne/cm
Molar Volume: 484.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement