ChemSpider 2D Image | 3-[(2-O-Hexopyranosylpentopyranosyl)oxy]-20-hydroxyursan-28-oic acid | C41H68O13

3-[(2-O-Hexopyranosylpentopyranosyl)oxy]-20-hydroxyursan-28-oic acid

  • Molecular FormulaC41H68O13
  • Average mass768.971 Da
  • Monoisotopic mass768.466003 Da
  • ChemSpider ID24619977

  • defined stereocentres - 19 of 20 defined stereocentres

More details:

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

3-[(2-O-Hexopyranosylpentopyranosyl)oxy]-20-hydroxyursan-28-oic acid [ACD/IUPAC Name]
3-[(2-O-Hexopyranosylpentopyranosyl)oxy]-20-hydroxyursan-28-säure [German] [ACD/IUPAC Name]
Acide 3-[(2-O-hexopyranosylpentopyranosyl)oxy]-20-hydroxyursan-28-oïque [French] [ACD/IUPAC Name]
Ursan-28-oic acid, 3-[(2-O-hexopyranosylpentopyranosyl)oxy]-20-hydroxy- [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: 867.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.3±6.0 kJ/mol
Flash Point: 255.5±27.8 °C
Index of Refraction: 1.601
Molar Refractivity: 196.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 155.41
ACD/KOC (pH 5.5): 678.64
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 2.44
ACD/KOC (pH 7.4): 10.66
Polar Surface Area: 216 Å2
Polarizability: 78.0±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 574.0±5.0 cm3

Click to predict properties on the Chemicalize site


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