ChemSpider 2D Image | (3beta,6beta,22Z,24S)-Ergosta-7,22-diene-3,5,6-triol | C28H46O3

(3β,6β,22Z,24S)-Ergosta-7,22-diene-3,5,6-triol

  • Molecular FormulaC28H46O3
  • Average mass430.663 Da
  • Monoisotopic mass430.344696 Da
  • ChemSpider ID58816759

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3β,6β,22Z,24S)-Ergosta-7,22-dien-3,5,6-triol [German] [ACD/IUPAC Name]
(3β,6β,22Z,24S)-Ergosta-7,22-diene-3,5,6-triol [ACD/IUPAC Name]
(3β,6β,22Z,24S)-Ergosta-7,22-diène-3,5,6-triol [French] [ACD/IUPAC Name]
Ergosta-7,22-diene-3,5,6-triol, (3β,6β,22Z,24S)- [ACD/Index Name]
204523-06-8 [RN]
ERGOSTA-7,22-DIENE-3,5,6-TRIOL,(3B,5A,6B,22Z,24S)- (9CI)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 535.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.3±6.0 kJ/mol
Flash Point: 221.2±24.7 °C
Index of Refraction: 1.557
Molar Refractivity: 127.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.38
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 16277.70
ACD/KOC (pH 5.5): 35995.30
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 16277.69
ACD/KOC (pH 7.4): 35995.26
Polar Surface Area: 61 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 396.5±5.0 cm3

Click to predict properties on the Chemicalize site


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