ChemSpider 2D Image | 1-O-[(3beta)-3-(alpha-L-Arabinopyranosyloxy)-23-hydroxy-28-oxoursa-12,19(29)-dien-28-yl]-beta-D-glucopyranose | C41H64O13

1-O-[(3β)-3-(α-L-Arabinopyranosyloxy)-23-hydroxy-28-oxoursa-12,19(29)-dien-28-yl]-β-D-glucopyranose

  • Molecular FormulaC41H64O13
  • Average mass764.939 Da
  • Monoisotopic mass764.434692 Da
  • ChemSpider ID9279820

  • defined stereocentres - 19 of 19 defined stereocentres

More details:

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

1-O-[(3β)-3-(α-L-Arabinopyranosyloxy)-23-hydroxy-28-oxoursa-12,19(29)-dien-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β)-3-(α-L-Arabinopyranosyloxy)-23-hydroxy-28-oxoursa-12,19(29)-dien-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β)-3-(α-L-Arabinopyranosyloxy)-23-hydroxy-28-oxoursa-12,19(29)-dién-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
356785-73-4 [RN]
β-D-Glucopyranose, 1-O-[(3β)-3-(α-L-arabinopyranosyloxy)-23-hydroxy-28-oxoursa-12,19(29)-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: 852.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.9±6.0 kJ/mol
Flash Point: 251.5±27.8 °C
Index of Refraction: 1.615
Molar Refractivity: 195.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2554.65
ACD/KOC (pH 5.5): 9562.31
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2554.60
ACD/KOC (pH 7.4): 9562.14
Polar Surface Area: 216 Å2
Polarizability: 77.7±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 561.3±5.0 cm3

Click to predict properties on the Chemicalize site


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