ChemSpider 2D Image | (3beta,5alpha,6beta,22E)-6-Ethoxyergosta-7,22-diene-3,5-diol | C30H50O3

(3β,5α,6β,22E)-6-Ethoxyergosta-7,22-diene-3,5-diol

  • Molecular FormulaC30H50O3
  • Average mass458.716 Da
  • Monoisotopic mass458.376007 Da
  • ChemSpider ID78443469

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,5α,6β,22E)-6-Ethoxyergosta-7,22-dien-3,5-diol [German] [ACD/IUPAC Name]
(3β,5α,6β,22E)-6-Ethoxyergosta-7,22-diene-3,5-diol [ACD/IUPAC Name]
(3β,5α,6β,22E)-6-Éthoxyergosta-7,22-diène-3,5-diol [French] [ACD/IUPAC Name]
Ergosta-7,22-diene-3,5-diol, 6-ethoxy-, (3β,5α,6β,22E)- [ACD/Index Name]
3β,5α-dihydroxy-6β-ethoyxergosta-7,22E-diene
6β-Ethoxy-5α-ergosta-7,22-diene-3β,5-diol
Fomentarol C

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

Density: 1.0±0.1 g/cm3
Boiling Point: 550.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.5±6.0 kJ/mol
Flash Point: 287.0±30.1 °C
Index of Refraction: 1.539
Molar Refractivity: 137.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.14
ACD/LogD (pH 5.5): 7.30
ACD/BCF (pH 5.5): 206212.66
ACD/KOC (pH 5.5): 221596.28
ACD/LogD (pH 7.4): 7.30
ACD/BCF (pH 7.4): 206212.66
ACD/KOC (pH 7.4): 221596.28
Polar Surface Area: 50 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 437.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement