ChemSpider 2D Image | (6alpha,12beta,20S)-6,19-Dihydroxy-20-[4-(hydroxymethyl)-3-methyl-5-oxo-2,5-dihydro-2-furanyl]-3-oxopregn-4-ene-12,18-diyl diacetate | C31H42O10

(6α,12β,20S)-6,19-Dihydroxy-20-[4-(hydroxymethyl)-3-methyl-5-oxo-2,5-dihydro-2-furanyl]-3-oxopregn-4-ene-12,18-diyl diacetate

  • Molecular FormulaC31H42O10
  • Average mass574.659 Da
  • Monoisotopic mass574.277771 Da
  • ChemSpider ID40256489

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(6α,12β,20S)-6,19-Dihydroxy-20-[4-(hydroxymethyl)-3-methyl-5-oxo-2,5-dihydro-2-furanyl]-3-oxopregn-4-en-12,18-diyl-diacetat [German] [ACD/IUPAC Name]
(6α,12β,20S)-6,19-Dihydroxy-20-[4-(hydroxymethyl)-3-methyl-5-oxo-2,5-dihydro-2-furanyl]-3-oxopregn-4-ene-12,18-diyl diacetate [ACD/IUPAC Name]
Diacétate de (6α,12β,20S)-6,19-dihydroxy-20-[4-(hydroxyméthyl)-3-méthyl-5-oxo-2,5-dihydro-2-furanyl]-3-oxoprégn-4-ène-12,18-diyle [French] [ACD/IUPAC Name]
Pregn-4-en-3-one, 12,18-bis(acetyloxy)-20-[2,5-dihydro-4-(hydroxymethyl)-3-methyl-5-oxo-2-furanyl]-6,19-dihydroxy-, (6α,12β,20S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 764.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.0±6.0 kJ/mol
Flash Point: 245.1±26.4 °C
Index of Refraction: 1.587
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.55
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 4.45
ACD/KOC (pH 5.5): 101.25
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 4.45
ACD/KOC (pH 7.4): 101.25
Polar Surface Area: 157 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 430.2±5.0 cm3

Click to predict properties on the Chemicalize site


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