ChemSpider 2D Image | 3-[(2-O-Hexopyranosylhexopyranosyl)oxy]olean-12-en-28-oic acid | C42H68O13

3-[(2-O-Hexopyranosylhexopyranosyl)oxy]olean-12-en-28-oic acid

  • Molecular FormulaC42H68O13
  • Average mass780.982 Da
  • Monoisotopic mass780.466003 Da
  • ChemSpider ID3058095

More details:

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

3-[(2-O-Hexopyranosylhexopyranosyl)oxy]olean-12-en-28-oic acid [ACD/IUPAC Name]
3-[(2-O-Hexopyranosylhexopyranosyl)oxy]olean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide 3-[(2-O-hexopyranosylhexopyranosyl)oxy]oléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[(2-O-hexopyranosylhexopyranosyl)oxy]- [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: 883.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.9±6.0 kJ/mol
Flash Point: 259.5±27.8 °C
Index of Refraction: 1.606
Molar Refractivity: 201.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 6.80
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 1599.86
ACD/KOC (pH 5.5): 3750.30
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 25.18
ACD/KOC (pH 7.4): 59.04
Polar Surface Area: 216 Å2
Polarizability: 79.7±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 582.6±5.0 cm3

Click to predict properties on the Chemicalize site


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