ChemSpider 2D Image | (3beta,5xi,9xi,16beta,18xi)-16,23,28-Trihydroxy-11-oxoolean-12-en-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C42H68O14

(3β,5ξ,9ξ,16β,18ξ)-16,23,28-Trihydroxy-11-oxoolean-12-en-3-yl 6-deoxy-3-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC42H68O14
  • Average mass796.981 Da
  • Monoisotopic mass796.460938 Da
  • ChemSpider ID8615762

  • defined stereocentres - 17 of 20 defined stereocentres

More details:

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

(3β,5ξ,9ξ,16β,18ξ)-16,23,28-Trihydroxy-11-oxoolean-12-en-3-yl 6-deoxy-3-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5ξ,9ξ,16β,18ξ)-16,23,28-Trihydroxy-11-oxoolean-12-en-3-yl-6-desoxy-3-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-3-O-β-D-glucopyranosyl-β-D-glucopyranoside de (3β,5ξ,9ξ,16β,18ξ)-16,23,28-trihydroxy-11-oxooléan-12-én-3-yle [French] [ACD/IUPAC Name]
Olean-12-en-11-one, 3-[(6-deoxy-3-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-16,23,28-trihydroxy-, (3β,5ξ,9ξ,16β,18ξ)- [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: 922.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.3±6.0 kJ/mol
Flash Point: 271.7±27.8 °C
Index of Refraction: 1.615
Molar Refractivity: 202.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.20
ACD/KOC (pH 5.5): 208.40
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.20
ACD/KOC (pH 7.4): 208.40
Polar Surface Area: 236 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 69.7±5.0 dyne/cm
Molar Volume: 580.3±5.0 cm3

Click to predict properties on the Chemicalize site


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