ChemSpider 2D Image | (3beta,5alpha,6alpha,9beta,10alpha,13alpha)-Cevane-3,6,20-triol | C27H45NO3

(3β,5α,6α,9β,10α,13α)-Cevane-3,6,20-triol

  • Molecular FormulaC27H45NO3
  • Average mass431.651 Da
  • Monoisotopic mass431.339935 Da
  • ChemSpider ID88298180

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,5α,6α,9β,10α,13α)-Cevan-3,6,20-triol [German] [ACD/IUPAC Name]
(3β,5α,6α,9β,10α,13α)-Cevane-3,6,20-triol [ACD/IUPAC Name]
(3β,5α,6α,9β,10α,13α)-Cévane-3,6,20-triol [French] [ACD/IUPAC Name]
Cevane-3,6,20-triol, (3β,5α,6α,9β,10α,13α)- [ACD/Index Name]
23496-41-5 [RN]
Peimine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 568.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.0±6.0 kJ/mol
Flash Point: 275.3±28.8 °C
Index of Refraction: 1.591
Molar Refractivity: 123.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 1.30
ACD/KOC (pH 5.5): 5.72
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 13.56
ACD/KOC (pH 7.4): 59.83
Polar Surface Area: 64 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 364.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement