ChemSpider 2D Image | (1alpha,3beta,11alpha,22E)-3,11-Dihydroxyergosta-5,22,24(28)-triene-1,18-diyl diacetate | C32H48O6

(1α,3β,11α,22E)-3,11-Dihydroxyergosta-5,22,24(28)-triene-1,18-diyl diacetate

  • Molecular FormulaC32H48O6
  • Average mass528.720 Da
  • Monoisotopic mass528.345093 Da
  • ChemSpider ID40256814

  • 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

(1α,3β,11α,22E)-3,11-Dihydroxyergosta-5,22,24(28)-trien-1,18-diyl-diacetat [German] [ACD/IUPAC Name]
(1α,3β,11α,22E)-3,11-Dihydroxyergosta-5,22,24(28)-triene-1,18-diyl diacetate [ACD/IUPAC Name]
Diacétate de (1α,3β,11α,22E)-3,11-dihydroxyergosta-5,22,24(28)-triène-1,18-diyle [French] [ACD/IUPAC Name]
Ergosta-5,22,24(28)-triene-1,3,11,18-tetrol, 1,18-diacetate, (1α,3β,11α,22E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 610.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.0±6.0 kJ/mol
Flash Point: 186.3±25.0 °C
Index of Refraction: 1.549
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6391.15
ACD/KOC (pH 5.5): 18434.23
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6391.15
ACD/KOC (pH 7.4): 18434.23
Polar Surface Area: 93 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 464.4±5.0 cm3

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