ChemSpider 2D Image | Blazein | C29H48O3

Blazein

  • Molecular FormulaC29H48O3
  • Average mass444.690 Da
  • Monoisotopic mass444.360352 Da
  • ChemSpider ID26646308
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 10 defined stereocentres


More details:






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

(3β,5α,6β,14ξ,22E,24ξ)-6-Methoxyergosta-7,22-dien-3,5-diol [German] [ACD/IUPAC Name]
(3β,5α,6β,14ξ,22E,24ξ)-6-Methoxyergosta-7,22-diene-3,5-diol [ACD/IUPAC Name]
(3β,5α,6β,14ξ,22E,24ξ)-6-Méthoxyergosta-7,22-diène-3,5-diol [French] [ACD/IUPAC Name]
Blazein [Wiki]
Ergosta-7,22-diene-3,5-diol, 6-methoxy-, (3β,5α,6β,14ξ,22E,24ξ)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 539.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 93.9±6.0 kJ/mol
Flash Point: 280.0±30.1 °C
Index of Refraction: 1.541
Molar Refractivity: 132.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.61
ACD/LogD (pH 5.5): 6.74
ACD/BCF (pH 5.5): 77642.34
ACD/KOC (pH 5.5): 110131.76
ACD/LogD (pH 7.4): 6.74
ACD/BCF (pH 7.4): 77642.34
ACD/KOC (pH 7.4): 110131.76
Polar Surface Area: 50 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 42.0±5.0 dyne/cm
Molar Volume: 421.3±5.0 cm3

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