ChemSpider 2D Image | 3-(Hexopyranosyloxy)-2,6,23-trihydroxyolean-12-en-28-oic acid | C36H58O11

3-(Hexopyranosyloxy)-2,6,23-trihydroxyolean-12-en-28-oic acid

  • Molecular FormulaC36H58O11
  • Average mass666.839 Da
  • Monoisotopic mass666.397888 Da
  • ChemSpider ID281299

More details:

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

3-(Hexopyranosyloxy)-2,6,23-trihydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
3-(Hexopyranosyloxy)-2,6,23-trihydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide 3-(hexopyranosyloxy)-2,6,23-trihydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-(hexopyranosyloxy)-2,6,23-trihydroxy- [ACD/Index Name]
53840-47-4 [RN]
OLEAN-12-EN-28-OICACID, 3-(B-D-GLUCOPYRANOSYLOXY)-2,6,23-TRIHYDROXY-,(2B,3B,4A,6B)- (9CI)

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

NSC251532 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 817.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.2±6.0 kJ/mol
Flash Point: 249.7±27.8 °C
Index of Refraction: 1.616
Molar Refractivity: 171.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 9.32
ACD/KOC (pH 5.5): 91.74
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.44
Polar Surface Area: 197 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 68.8±5.0 dyne/cm
Molar Volume: 491.8±5.0 cm3

Click to predict properties on the Chemicalize site


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