Found 64 results

Search term: MF = 'C_{45}H_{78}O_{5}'
ChemSpider 2D Image | Pentadecyl (1alpha,2beta,3beta)-1,2,3-trihydroxyolean-12-en-28-oate | C45H78O5

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

  • Molecular FormulaC45H78O5
  • Average mass699.098 Da
  • Monoisotopic mass698.584900 Da
  • ChemSpider ID58985832

  • 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 pentadécyle [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 1,2,3-trihydroxy-, pentadecyl ester, (1α,2β,3β)- [ACD/Index Name]
Pentadecyl (1α,2β,3β)-1,2,3-trihydroxyolean-12-en-28-oate [ACD/IUPAC Name]
Pentadecyl-(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: 703.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.7±6.0 kJ/mol
Flash Point: 192.8±26.4 °C
Index of Refraction: 1.538
Molar Refractivity: 206.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 14.83
ACD/LogD (pH 5.5): 14.01
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.01
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 87 Å2
Polarizability: 81.8±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 660.0±5.0 cm3

Click to predict properties on the Chemicalize site


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