ChemSpider 2D Image | 6-Deoxy-1-O-[(2beta,3beta,5xi,6beta,16alpha,18xi)-3-(beta-D-glucopyranosyloxy)-2,6,16-trihydroxy-28-oxoolean-12-en-28-yl]-beta-L-mannopyranose | C42H68O15

6-Deoxy-1-O-[(2β,3β,5ξ,6β,16α,18ξ)-3-(β-D-glucopyranosyloxy)-2,6,16-trihydroxy-28-oxoolean-12-en-28-yl]-β-L-mannopyranose

  • Molecular FormulaC42H68O15
  • Average mass812.980 Da
  • Monoisotopic mass812.455811 Da
  • ChemSpider ID8994500

  • defined stereocentres - 19 of 21 defined stereocentres

More details:

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

6-Deoxy-1-O-[(2β,3β,5ξ,6β,16α,18ξ)-3-(β-D-glucopyranosyloxy)-2,6,16-trihydroxy-28-oxoolean-12-en-28-yl]-β-L-mannopyranose [ACD/IUPAC Name]
6-Desoxy-1-O-[(2β,3β,5ξ,6β,16α,18ξ)-3-(β-D-glucopyranosyloxy)-2,6,16-trihydroxy-28-oxoolean-12-en-28-yl]-β-L-mannopyranose [German] [ACD/IUPAC Name]
6-Désoxy-1-O-[(2β,3β,5ξ,6β,16α,18ξ)-3-(β-D-glucopyranosyloxy)-2,6,16-trihydroxy-28-oxooléan-12-én-28-yl]-β-L-mannopyranose [French] [ACD/IUPAC Name]
β-L-Mannopyranose, 6-deoxy-1-O-[(2β,3β,5ξ,6β,16α,18ξ)-3-(β-D-glucopyranosyloxy)-2,6,16-trihydroxy-28-oxoolean-12-en-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: 898.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.3±6.0 kJ/mol
Flash Point: 262.6±27.8 °C
Index of Refraction: 1.623
Molar Refractivity: 204.0±0.4 cm3
#H bond acceptors: 15
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.42
ACD/KOC (pH 5.5): 268.91
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.42
ACD/KOC (pH 7.4): 268.91
Polar Surface Area: 256 Å2
Polarizability: 80.9±0.5 10-24cm3
Surface Tension: 72.7±5.0 dyne/cm
Molar Volume: 578.7±5.0 cm3

Click to predict properties on the Chemicalize site


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