ChemSpider 2D Image | (1alpha,3beta,11alpha,22S)-3-Acetoxy-1,11-dihydroxygorgost-5-en-18-oic acid | C32H50O6

(1α,3β,11α,22S)-3-Acetoxy-1,11-dihydroxygorgost-5-en-18-oic acid

  • Molecular FormulaC32H50O6
  • Average mass530.736 Da
  • Monoisotopic mass530.360718 Da
  • ChemSpider ID9504967

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(1α,3β,11α,22S)-3-Acetoxy-1,11-dihydroxygorgost-5-en-18-oic acid [ACD/IUPAC Name]
(1α,3β,11α,22S)-3-Acetoxy-1,11-dihydroxygorgost-5-en-18-säure [German] [ACD/IUPAC Name]
22,24-Cyclochol-5-en-18-oic acid, 3-(acetyloxy)-23-[(1R)-1,2-dimethylpropyl]-1,11-dihydroxy-23-methyl-, (1α,3β,11α,22S,23R)- [ACD/Index Name]
Acide (1α,3β,11α,22S)-3-acétoxy-1,11-dihydroxygorgost-5-én-18-oïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 635.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.6±6.0 kJ/mol
Flash Point: 196.3±25.0 °C
Index of Refraction: 1.562
Molar Refractivity: 146.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 1128.05
ACD/KOC (pH 5.5): 2636.62
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 17.84
ACD/KOC (pH 7.4): 41.69
Polar Surface Area: 104 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 450.1±5.0 cm3

Click to predict properties on the Chemicalize site


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