ChemSpider 2D Image | (3beta,13alpha,16beta)-3-[(6-Deoxy-beta-D-galactopyranosyl)oxy]-16-hydroxy-13,28-epoxyolean-11-en-23-yl acetate | C38H60O9

(3β,13α,16β)-3-[(6-Deoxy-β-D-galactopyranosyl)oxy]-16-hydroxy-13,28-epoxyolean-11-en-23-yl acetate

  • Molecular FormulaC38H60O9
  • Average mass660.878 Da
  • Monoisotopic mass660.423706 Da
  • ChemSpider ID59007502

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(3β,13α,16β)-3-[(6-Deoxy-β-D-galactopyranosyl)oxy]-16-hydroxy-13,28-epoxyolean-11-en-23-yl acetate [ACD/IUPAC Name]
(3β,13α,16β)-3-[(6-Desoxy-β-D-galactopyranosyl)oxy]-16-hydroxy-13,28-epoxyolean-11-en-23-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,13α,16β)-3-[(6-désoxy-β-D-galactopyranosyl)oxy]-16-hydroxy-13,28-époxyoléan-11-én-23-yle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (3β,13α,16β)-23-(acetyloxy)-13,28-epoxy-16-hydroxyolean-11-en-3-yl 6-deoxy- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 727.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.3±6.0 kJ/mol
Flash Point: 216.7±26.4 °C
Index of Refraction: 1.584
Molar Refractivity: 176.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.12
ACD/LogD (pH 5.5): 6.57
ACD/BCF (pH 5.5): 57437.09
ACD/KOC (pH 5.5): 88758.75
ACD/LogD (pH 7.4): 6.57
ACD/BCF (pH 7.4): 57436.84
ACD/KOC (pH 7.4): 88758.37
Polar Surface Area: 135 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 528.1±5.0 cm3

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