ChemSpider 2D Image | (2R,3S,5S,11S,20R,22S,24S)-24-Methyl-22,25-epoxyfurostan-2,3,11,20-tetraol 2-acetate | C30H48O7

(2R,3S,5S,11S,20R,22S,24S)-24-Methyl-22,25-epoxyfurostan-2,3,11,20-tetraol 2-acetate

  • Molecular FormulaC30H48O7
  • Average mass520.698 Da
  • Monoisotopic mass520.340027 Da
  • ChemSpider ID113766

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(2R,3S,5S,11S,20R,22S,24S)-24-Methyl-22,25-epoxyfurostan-2,3,11,20-tetraol 2-acetate
(2α,3α,5α,11β,22S,24S)-3,11,20-Trihydroxy-24-methyl-22,25-epoxyfurostan-2-yl acetate [ACD/IUPAC Name]
(2α,3α,5α,11β,22S,24S)-3,11,20-Trihydroxy-24-methyl-22,25-epoxyfurostan-2-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (2α,3α,5α,11β,22S,24S)-3,11,20-trihydroxy-24-méthyl-22,25-époxyfurostan-2-yle [French] [ACD/IUPAC Name]
Furostan-2,3,11,20-tetrol, 22,25-epoxy-24-methyl-, 2-acetate, (2α,3α,5α,11β,22β,24S)- [ACD/Index Name]
(22S)-1α-acetoxy-5α-furospirostan-3α,11β,20R-triol
22-epihippurin-1
22-Epi-Hippurin-1
24-Methyl-22,25-epoxy-5α-furostan-2,3,11,20-tetrol 2-monoacetate
66536-82-1 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 616.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.8±6.0 kJ/mol
Flash Point: 193.3±25.0 °C
Index of Refraction: 1.571
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 167.56
ACD/KOC (pH 5.5): 1360.40
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 167.56
ACD/KOC (pH 7.4): 1360.40
Polar Surface Area: 105 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 421.3±5.0 cm3

Click to predict properties on the Chemicalize site


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