ChemSpider 2D Image | 28-Methoxy-28-oxoolean-12-en-3-yl methyl beta-D-gulopyranosyl-(1->2)-[alpha-L-lyxofuranosyl-(1->4)]-beta-D-allopyranosiduronate | C49H78O18

28-Methoxy-28-oxoolean-12-en-3-yl methyl β-D-gulopyranosyl-(1->2)-[α-L-lyxofuranosyl-(1->4)]-β-D-allopyranosiduronate

  • Molecular FormulaC49H78O18
  • Average mass955.133 Da
  • Monoisotopic mass954.518799 Da
  • ChemSpider ID4477970

  • defined stereocentres - 14 of 22 defined stereocentres

More details:

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

28-Methoxy-28-oxoolean-12-en-3-yl methyl β-D-gulopyranosyl-(1->2)-[α-L-lyxofuranosyl-(1->4)]-β-D-allopyranosiduronate [ACD/IUPAC Name]
28-Methoxy-28-oxoolean-12-en-3-yl-methyl-β-D-gulopyranosyl-(1->2)-[α-L-lyxofuranosyl-(1->4)]-β-D-allopyranosiduronat [German] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[[O-β-D-gulopyranosyl-(1->2)-O-[α-L-lyxofuranosyl-(1->4)]-6-methyl-β-D-allopyranuronosyl]oxy]-, methyl ester [ACD/Index Name]
Methyl oleanate-(3)-[α-L-arabinofuranosyl-(1-->4)]-[(β-D-galactopyranosyl-(1-->2))-methyl-(β-D-glucopyranoside) uronate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 971.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 160.4±6.0 kJ/mol
Flash Point: 272.6±27.8 °C
Index of Refraction: 1.599
Molar Refractivity: 238.4±0.4 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 8.39
ACD/LogD (pH 5.5): 6.25
ACD/BCF (pH 5.5): 32993.28
ACD/KOC (pH 5.5): 59686.03
ACD/LogD (pH 7.4): 6.25
ACD/BCF (pH 7.4): 32992.59
ACD/KOC (pH 7.4): 59684.79
Polar Surface Area: 270 Å2
Polarizability: 94.5±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 698.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement