ChemSpider 2D Image | 3-[(2-O-Hexopyranosylpentopyranosyl)oxy]olean-12-en-28-oic acid | C41H66O12

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

  • Molecular FormulaC41H66O12
  • Average mass750.956 Da
  • Monoisotopic mass750.455444 Da
  • ChemSpider ID432853

More details:

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

3-[(2-O-Hexopyranosylpentopyranosyl)oxy]olean-12-en-28-oic acid [ACD/IUPAC Name]
3-[(2-O-Hexopyranosylpentopyranosyl)oxy]olean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide 3-[(2-O-hexopyranosylpentopyranosyl)oxy]oléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[(2-O-hexopyranosylpentopyranosyl)oxy]- [ACD/Index Name]
3-((2-O-Hexopyranosylpentopyranosyl)oxy)olean-12-en-28-oic acid
Flaccidin B

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

AIDS132395 [DBID]
AIDS-132395 [DBID]
NSC626094 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 849.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.4±6.0 kJ/mol
Flash Point: 250.7±27.8 °C
Index of Refraction: 1.601
Molar Refractivity: 194.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 1714.79
ACD/KOC (pH 5.5): 3941.22
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 26.99
ACD/KOC (pH 7.4): 62.04
Polar Surface Area: 196 Å2
Polarizability: 77.3±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 568.9±5.0 cm3

Click to predict properties on the Chemicalize site


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