ChemSpider 2D Image | (3beta,5alpha,6alpha,22E)-5,6,9-Trihydroxyergosta-7,22-dien-3-yl (9Z,12Z)-9,12-octadecadienoate | C46H76O5

(3β,5α,6α,22E)-5,6,9-Trihydroxyergosta-7,22-dien-3-yl (9Z,12Z)-9,12-octadecadienoate

  • Molecular FormulaC46H76O5
  • Average mass709.093 Da
  • Monoisotopic mass708.569275 Da
  • ChemSpider ID58132276

  • 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,6α,22E)-5,6,9-Trihydroxyergosta-7,22-dien-3-yl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
(3β,5α,6α,22E)-5,6,9-Trihydroxyergosta-7,22-dien-3-yl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Octadécadiénoate de (3β,5α,6α,22E)-5,6,9-trihydroxyergosta-7,22-dién-3-yle [French] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, (3β,5α,6α,22E)-5,6,9-trihydroxyergosta-7,22-dien-3-yl ester, (9Z,12Z)- [ACD/Index Name]
Erinarol F

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

Density: 1.1±0.1 g/cm3
Boiling Point: 738.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.9±6.0 kJ/mol
Flash Point: 203.7±26.4 °C
Index of Refraction: 1.543
Molar Refractivity: 212.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 14.35
ACD/LogD (pH 5.5): 12.50
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.50
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 87 Å2
Polarizability: 84.3±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 674.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement