ChemSpider 2D Image | 3beta,7beta,15alpha,22-tetrahydroxyhopane | C30H52O4

3β,7β,15α,22-tetrahydroxyhopane

  • Molecular FormulaC30H52O4
  • Average mass476.732 Da
  • Monoisotopic mass476.386566 Da
  • ChemSpider ID28479704

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,7β,15α)-Hopane-3,7,15,22-tetrol [ACD/IUPAC Name]
(3β,7β,15α)-Hopane-3,7,15,22-tétrol [French] [ACD/IUPAC Name]
1H-Cyclopenta[a]chrysene-5,6,9-triol, eicosahydro-3-(1-hydroxy-1-methylethyl)-5a,5b,8,8,11a,13b-hexamethyl-, (3S,3aS,5S,5aR,5bR,6S,7aR,9S,11aS,11bR,13aR,13bS)- [ACD/Index Name]
3β,7β,15α,22-tetrahydroxyhopane
3β,7β,15α,22-tetrahydroxyhopane
  • Miscellaneous

    • Chemical Class:

      A hopanoid that is hopane substituted by hydroxy groups at positions 3, 7, 15 and 22 respectively (the 3<stereo>beta</stereo>,7<stereo>beta</stereo>,15<stereo>alpha</stereo>-stereoisomer). It has bee n isolated from <ital>Hypocrella</ital> species. ChEBI CHEBI:69632
      A hopanoid that is hopane substituted by hydroxy groups at positions 3, 7, 15 and 22 respectively (the 3beta,7beta,15alpha-stereoisomer). It has bee; n isolated from Hypocrella species. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:69632
      A hopanoid that is hopane substituted by hydroxy groups at positions 3, 7, 15 and 22 respectively (the 3beta,7beta,15alpha-stereoisomer). It has been isolated from Hypocrella species. ChEBI CHEBI:69632

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

Density: 1.1±0.1 g/cm3
Boiling Point: 576.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.1±6.0 kJ/mol
Flash Point: 234.8±24.7 °C
Index of Refraction: 1.545
Molar Refractivity: 136.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2785.21
ACD/KOC (pH 5.5): 10172.42
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2785.21
ACD/KOC (pH 7.4): 10172.42
Polar Surface Area: 81 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 432.2±3.0 cm3

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