ChemSpider 2D Image | (3beta,5xi,21beta)-24-Hydroxy-28-oxo-22,28-epoxyhopan-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C42H68O14

(3β,5ξ,21β)-24-Hydroxy-28-oxo-22,28-epoxyhopan-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC42H68O14
  • Average mass796.981 Da
  • Monoisotopic mass796.460938 Da
  • ChemSpider ID8852137

  • defined stereocentres - 20 of 21 defined stereocentres

More details:

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

(3β,5ξ,21β)-24-Hydroxy-28-oxo-22,28-epoxyhopan-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (3β,5ξ,21β)-24-hydroxy-28-oxo-22,28-époxyhopan-3-yle [French] [ACD/IUPAC Name]
3H-4,14b-Ethano-1H-chryseno[1,2-c]pyran-1-one, 10-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]octadecahydro-9-(hydroxymethyl)-3,3,6a,6b,9,12a-hexamethyl-, (4S,4aS,6aR,6bR,9S,10S,12aR,12bR,14 aS,14bR)- [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: 920.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.0±6.0 kJ/mol
Flash Point: 272.1±27.8 °C
Index of Refraction: 1.613
Molar Refractivity: 201.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.23
ACD/KOC (pH 5.5): 700.03
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.23
ACD/KOC (pH 7.4): 700.02
Polar Surface Area: 225 Å2
Polarizability: 79.7±0.5 10-24cm3
Surface Tension: 69.0±5.0 dyne/cm
Molar Volume: 577.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement