ChemSpider 2D Image | (3beta,5beta,6beta,7alpha,11alpha,12beta,15alpha)-3,7,11-Trihydroxy-5,6-epoxygorgostane-12,15-diyl diacetate | C34H54O8

(3β,5β,6β,7α,11α,12β,15α)-3,7,11-Trihydroxy-5,6-epoxygorgostane-12,15-diyl diacetate

  • Molecular FormulaC34H54O8
  • Average mass590.788 Da
  • Monoisotopic mass590.381897 Da
  • ChemSpider ID9170722

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(3β,5β,6β,7α,11α,12β,15α)-3,7,11-Trihydroxy-5,6-epoxygorgostan-12,15-diyl-diacetat [German] [ACD/IUPAC Name]
(3β,5β,6β,7α,11α,12β,15α)-3,7,11-Trihydroxy-5,6-epoxygorgostane-12,15-diyl diacetate [ACD/IUPAC Name]
22,24-Cyclocholane-3,7,11,12,15-pentol, 23-[(1R)-1,2-dimethylpropyl]-5,6-epoxy-23-methyl-, 12,15-diacetate, (3β,5β,6β,7α,11α,12β,15α,22R,23R)- [ACD/Index Name]
Diacétate de (3β,5β,6β,7α,11α,12β,15α)-3,7,11-trihydroxy-5,6-époxygorgostane-12,15-diyle [French] [ACD/IUPAC Name]
5β,6β-epoxygorgostane-12β,15α-diacetoxy-3β,7α,11α-triol
5β,6β-epoxygorgostane-3β,7α,11α,12β,15α-pentol 12,15-diacetate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 659.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.1±6.0 kJ/mol
Flash Point: 199.6±25.0 °C
Index of Refraction: 1.562
Molar Refractivity: 157.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1453.07
ACD/KOC (pH 5.5): 6385.03
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1453.07
ACD/KOC (pH 7.4): 6385.02
Polar Surface Area: 126 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 484.3±5.0 cm3

Click to predict properties on the Chemicalize site


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