ChemSpider 2D Image | 1-O-[(2alpha,3beta)-2,3-Dihydroxy-28-oxours-12-en-28-yl]-beta-D-glucopyranose | C36H58O9

1-O-[(2α,3β)-2,3-Dihydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC36H58O9
  • Average mass634.840 Da
  • Monoisotopic mass634.408081 Da
  • ChemSpider ID23296199

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

155653-85-3 [RN]
1-O-[(2α,3β)-2,3-Dihydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2α,3β)-2,3-Dihydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2α,3β)-2,3-Dihydroxy-28-oxours-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(2α,3β)-2,3-dihydroxy-28-oxours-12-en-28-yl]- [ACD/Index Name]
(1S,2R,4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-((2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxy-tetrahydro-2H-pyran-2-yl) 10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
(2α,3β)-2,3-Dihydroxy-urs-12-en-28-oic acid β-D-glucopyranosyl ester
(2α,3β)-2,3-Dihydroxy-urs-12-en-28-oic acid β-D-glucopyranosyl ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 714.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.3±6.0 kJ/mol
Flash Point: 214.7±26.4 °C
Index of Refraction: 1.593
Molar Refractivity: 168.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18828.37
ACD/KOC (pH 5.5): 39948.20
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 18828.12
ACD/KOC (pH 7.4): 39947.67
Polar Surface Area: 157 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 497.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement