ChemSpider 2D Image | (3beta,5alpha,16alpha,17E,22E,24xi)-Ergosta-6,8(14),17,22-tetraene-3,16-diol | C28H42O2

(3β,5α,16α,17E,22E,24ξ)-Ergosta-6,8(14),17,22-tetraene-3,16-diol

  • Molecular FormulaC28H42O2
  • Average mass410.632 Da
  • Monoisotopic mass410.318481 Da
  • ChemSpider ID44210979

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3β,5α,16α,17E,22E,24ξ)-Ergosta-6,8(14),17,22-tetraen-3,16-diol [German] [ACD/IUPAC Name]
(3β,5α,16α,17E,22E,24ξ)-Ergosta-6,8(14),17,22-tetraene-3,16-diol [ACD/IUPAC Name]
(3β,5α,16α,17E,22E,24ξ)-Ergosta-6,8(14),17,22-tétraène-3,16-diol [French] [ACD/IUPAC Name]
Ergosta-6,8(14),17,22-tetraene-3,16-diol, (3β,5α,16α,17E,22E,24ξ)- [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: 554.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.1±6.0 kJ/mol
Flash Point: 234.8±24.7 °C
Index of Refraction: 1.566
Molar Refractivity: 125.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.17
ACD/LogD (pH 5.5): 6.94
ACD/BCF (pH 5.5): 110563.55
ACD/KOC (pH 5.5): 141839.06
ACD/LogD (pH 7.4): 6.94
ACD/BCF (pH 7.4): 110563.55
ACD/KOC (pH 7.4): 141839.06
Polar Surface Area: 40 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 383.8±5.0 cm3

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