ChemSpider 2D Image | (3beta,5beta,6alpha,7alpha,8alpha,22E)-Ergosta-14,22-diene-3,5,6,7-tetrol | C28H46O4

(3β,5β,6α,7α,8α,22E)-Ergosta-14,22-diene-3,5,6,7-tetrol

  • Molecular FormulaC28H46O4
  • Average mass446.662 Da
  • Monoisotopic mass446.339600 Da
  • ChemSpider ID78443479

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,5β,6α,7α,8α,22E)-Ergosta-14,22-dien-3,5,6,7-tetrol [German] [ACD/IUPAC Name]
(3β,5β,6α,7α,8α,22E)-Ergosta-14,22-diene-3,5,6,7-tetrol [ACD/IUPAC Name]
(3β,5β,6α,7α,8α,22E)-Ergosta-14,22-diène-3,5,6,7-tétrol [French] [ACD/IUPAC Name]
Ergosta-14,22-diene-3,5,6,7-tetrol, (3β,5β,6α,7α,8α,22E)- [ACD/Index Name]
3β,5β,6α,7α-tetrahydroxy8α,9α-dihydroergosta-14,22-diene
Fomentarol B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 549.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.3±6.0 kJ/mol
Flash Point: 227.2±24.7 °C
Index of Refraction: 1.568
Molar Refractivity: 129.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2478.72
ACD/KOC (pH 5.5): 9358.03
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2478.72
ACD/KOC (pH 7.4): 9358.02
Polar Surface Area: 81 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 394.4±5.0 cm3

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