ChemSpider 2D Image | Pentyl (1alpha,2beta,3beta)-1,2,3-trihydroxyolean-12-en-28-oate | C35H58O5

Pentyl (1α,2β,3β)-1,2,3-trihydroxyolean-12-en-28-oate

  • Molecular FormulaC35H58O5
  • Average mass558.832 Da
  • Monoisotopic mass558.428406 Da
  • ChemSpider ID58985831

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1α,2β,3β)-1,2,3-Trihydroxyoléan-12-én-28-oate de pentyle [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 1,2,3-trihydroxy-, pentyl ester, (1α,2β,3β)- [ACD/Index Name]
Pentyl (1α,2β,3β)-1,2,3-trihydroxyolean-12-en-28-oate [ACD/IUPAC Name]
Pentyl-(1α,2β,3β)-1,2,3-trihydroxyolean-12-en-28-oat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 601.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.7±6.0 kJ/mol
Flash Point: 176.2±25.0 °C
Index of Refraction: 1.553
Molar Refractivity: 160.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 9.52
ACD/LogD (pH 5.5): 9.19
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2389635.50
ACD/LogD (pH 7.4): 9.19
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2389635.50
Polar Surface Area: 87 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 499.7±5.0 cm3

Click to predict properties on the Chemicalize site


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