ChemSpider 2D Image | (3beta,5alpha,6beta,22E)-3,5-Dihydroxy-7-oxoergost-22-en-6-yl (9Z)-9-octadecenoate | C46H78O5

(3β,5α,6β,22E)-3,5-Dihydroxy-7-oxoergost-22-en-6-yl (9Z)-9-octadecenoate

  • Molecular FormulaC46H78O5
  • Average mass711.109 Da
  • Monoisotopic mass710.584900 Da
  • ChemSpider ID10193384

  • 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,5α,6β,22E)-3,5-Dihydroxy-7-oxoergost-22-en-6-yl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(3β,5α,6β,22E)-3,5-Dihydroxy-7-oxoergost-22-en-6-yl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (3β,5α,6β,22E)-3,5-dihydroxy-7-oxoergost-22-én-6-yle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (3β,5α,6β,22E)-3,5-dihydroxy-7-oxoergost-22-en-6-yl ester, (9Z)- [ACD/Index Name]
3β,5α,dihydroxy-24R-methyl-cholest-22E-en-7-one-3β-yl (9Z-octadecenoate)
3β,5α-dihydroxy-(22E,24R)-ergosta-22-en-7-one-6β-yl oleate

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

Density: 1.0±0.0 g/cm3
Boiling Point: 737.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 122.8±0.0 kJ/mol
Flash Point: 202.8±0.0 °C
Index of Refraction: 1.527
Molar Refractivity: 211.6±0.0 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 13.52
ACD/LogD (pH 5.5): 13.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.52
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 84 Å2
Polarizability: 83.9±0.0 10-24cm3
Surface Tension: 43.3±0.0 dyne/cm
Molar Volume: 688.4±0.0 cm3

Click to predict properties on the Chemicalize site


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