ChemSpider 2D Image | (1beta,3beta,5alpha,6beta,22E)-1,3,5,6-Tetrahydroxyergost-22-en-25-yl acetate | C30H50O6

(1β,3β,5α,6β,22E)-1,3,5,6-Tetrahydroxyergost-22-en-25-yl acetate

  • Molecular FormulaC30H50O6
  • Average mass506.714 Da
  • Monoisotopic mass506.360748 Da
  • ChemSpider ID32674580

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1β,3β,5α,6β,22E)-1,3,5,6-Tetrahydroxyergost-22-en-25-yl acetate [ACD/IUPAC Name]
(1β,3β,5α,6β,22E)-1,3,5,6-Tetrahydroxyergost-22-en-25-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1β,3β,5α,6β,22E)-1,3,5,6-tétrahydroxyergost-22-én-25-yle [French] [ACD/IUPAC Name]
Ergost-22-ene-1,3,5,6,25-pentol, 25-acetate, (1β,3β,5α,6β,22E)- [ACD/Index Name]
sarcophanol A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 604.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.1±6.0 kJ/mol
Flash Point: 186.4±25.0 °C
Index of Refraction: 1.555
Molar Refractivity: 140.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 649.80
ACD/KOC (pH 5.5): 3589.15
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 649.80
ACD/KOC (pH 7.4): 3589.15
Polar Surface Area: 107 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 438.5±3.0 cm3

Click to predict properties on the Chemicalize site


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