ChemSpider 2D Image | (5xi,9xi,13xi,17xi)-Hopan-22-ol | C30H52O

(5ξ,9ξ,13ξ,17ξ)-Hopan-22-ol

  • Molecular FormulaC30H52O
  • Average mass428.733 Da
  • Monoisotopic mass428.401825 Da
  • ChemSpider ID29784968

  • defined stereocentres - 5 of 9 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(5ξ,9ξ,13ξ,17ξ)-Hopan-22-ol [ACD/IUPAC Name]
(5ξ,9ξ,13ξ,17ξ)-Hopan-22-ol [French] [ACD/IUPAC Name]
1H-Cyclopenta[a]chrysene-3-methanol, eicosahydro-α,α,5a,5b,8,8,11a,13b-octamethyl-, (3S,5aR,5bR,11aS,13bS)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 480.0±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.8±6.0 kJ/mol
Flash Point: 222.4±10.0 °C
Index of Refraction: 1.510
Molar Refractivity: 131.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 11.14
ACD/LogD (pH 5.5): 10.11
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7515113.50
ACD/LogD (pH 7.4): 10.11
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7515113.50
Polar Surface Area: 20 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 441.3±3.0 cm3

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