ChemSpider 2D Image | (3beta,5alpha,22E)-3,14,25,28-Tetrahydroxyergosta-7,22-dien-6-one | C28H44O5

(3β,5α,22E)-3,14,25,28-Tetrahydroxyergosta-7,22-dien-6-one

  • Molecular FormulaC28H44O5
  • Average mass460.646 Da
  • Monoisotopic mass460.318878 Da
  • ChemSpider ID78439457

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,5α,22E)-3,14,25,28-Tetrahydroxyergosta-7,22-dien-6-on [German] [ACD/IUPAC Name]
(3β,5α,22E)-3,14,25,28-Tetrahydroxyergosta-7,22-dien-6-one [ACD/IUPAC Name]
(3β,5α,22E)-3,14,25,28-Tétrahydroxyergosta-7,22-dién-6-one [French] [ACD/IUPAC Name]
Ergosta-7,22-dien-6-one, 3,14,25,28-tetrahydroxy-, (3β,5α,22E)- [ACD/Index Name]
3,14,25-Trihydroxy-24-hydroxymethylergosta-7,22-dien-6-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 638.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±6.0 kJ/mol
Flash Point: 353.7±28.0 °C
Index of Refraction: 1.578
Molar Refractivity: 129.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 152.28
ACD/KOC (pH 5.5): 1270.41
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 152.28
ACD/KOC (pH 7.4): 1270.41
Polar Surface Area: 98 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 389.7±5.0 cm3

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