ChemSpider 2D Image | 1-O-[(3beta,16alpha)-3-(beta-D-Glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-28-yl]-alpha-L-arabinopyranose | C41H66O13

1-O-[(3β,16α)-3-(β-D-Glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose

  • Molecular FormulaC41H66O13
  • Average mass766.955 Da
  • Monoisotopic mass766.450317 Da
  • ChemSpider ID8708588

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

1-O-[(3β,16α)-3-(β-D-Glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose [ACD/IUPAC Name]
1-O-[(3β,16α)-3-(β-D-Glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose [German] [ACD/IUPAC Name]
1-O-[(3β,16α)-3-(β-D-Glucopyranosyloxy)-16-hydroxy-28-oxooléan-12-én-28-yl]-α-L-arabinopyranose [French] [ACD/IUPAC Name]
α-L-Arabinopyranose, 1-O-[(3β,16α)-3-(β-D-glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-28-yl]- [ACD/Index Name]
asterlingulatoside A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 840.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.0±6.0 kJ/mol
Flash Point: 246.8±27.8 °C
Index of Refraction: 1.610
Molar Refractivity: 196.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1021.14
ACD/KOC (pH 5.5): 4960.23
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1021.12
ACD/KOC (pH 7.4): 4960.15
Polar Surface Area: 216 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 566.6±5.0 cm3

Click to predict properties on the Chemicalize site


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