ChemSpider 2D Image | (3alpha,7alpha,13alpha,17alpha,20S,21R,23R,24S)-7,24,25-Trihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methylbutanoate | C36H60O7

(3α,7α,13α,17α,20S,21R,23R,24S)-7,24,25-Trihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methylbutanoate

  • Molecular FormulaC36H60O7
  • Average mass604.857 Da
  • Monoisotopic mass604.433899 Da
  • ChemSpider ID9832039

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3α,7α,13α,17α,20S,21R,23R,24S)-7,24,25-Trihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methylbutanoate [ACD/IUPAC Name]
(3α,7α,13α,17α,20S,21R,23R,24S)-7,24,25-Trihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl-3-methylbutanoat [German] [ACD/IUPAC Name]
3-Méthylbutanoate de (3α,7α,13α,17α,20S,21R,23R,24S)-7,24,25-trihydroxy-21-méthoxy-21,23-époxy-13,30-cyclodammaran-3-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: 679.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.0±6.0 kJ/mol
Flash Point: 202.6±25.0 °C
Index of Refraction: 1.555
Molar Refractivity: 166.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 7818.27
ACD/KOC (pH 5.5): 21295.07
ACD/LogD (pH 7.4): 5.43
ACD/BCF (pH 7.4): 7818.27
ACD/KOC (pH 7.4): 21295.07
Polar Surface Area: 105 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 518.0±5.0 cm3

Click to predict properties on the Chemicalize site


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