ChemSpider 2D Image | (1alpha,4alpha,5alpha,9beta,16beta,22R,25R)-1,22,26-Trihydroxy-4,14-dimethyl-3,23-dioxo-9,19-cycloergost-24(28)-en-16-yl acetate | C32H48O7

(1α,4α,5α,9β,16β,22R,25R)-1,22,26-Trihydroxy-4,14-dimethyl-3,23-dioxo-9,19-cycloergost-24(28)-en-16-yl acetate

  • Molecular FormulaC32H48O7
  • Average mass544.719 Da
  • Monoisotopic mass544.340027 Da
  • ChemSpider ID28495552

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(1α,4α,5α,9β,16β,22R,25R)-1,22,26-Trihydroxy-4,14-dimethyl-3,23-dioxo-9,19-cycloergost-24(28)-en-16-yl acetate [ACD/IUPAC Name]
(1α,4α,5α,9β,16β,22R,25R)-1,22,26-Trihydroxy-4,14-dimethyl-3,23-dioxo-9,19-cycloergost-24(28)-en-16-yl-acetat [German] [ACD/IUPAC Name]
9,19-Cycloergost-24(28)-ene-3,23-dione, 16-(acetyloxy)-1,22,26-trihydroxy-4,14-dimethyl-, (1α,4α,5α,9β,16β,22R,25R)- [ACD/Index Name]
Acétate de (1α,4α,5α,9β,16β,22R,25R)-1,22,26-trihydroxy-4,14-diméthyl-3,23-dioxo-9,19-cycloergost-24(28)-én-16-yle [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: 680.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.2±6.0 kJ/mol
Flash Point: 213.0±25.0 °C
Index of Refraction: 1.566
Molar Refractivity: 146.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 171.70
ACD/KOC (pH 5.5): 1384.38
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 171.70
ACD/KOC (pH 7.4): 1384.37
Polar Surface Area: 121 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 448.0±5.0 cm3

Click to predict properties on the Chemicalize site


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