ChemSpider 2D Image | 2,23-Diacetoxy-3-oxolupa-1,20(29)-dien-28-oic acid | C34H48O7

2,23-Diacetoxy-3-oxolupa-1,20(29)-dien-28-oic acid

  • Molecular FormulaC34H48O7
  • Average mass568.741 Da
  • Monoisotopic mass568.340027 Da
  • ChemSpider ID58116283

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2,23-Diacetoxy-3-oxolupa-1,20(29)-dien-28-oic acid [ACD/IUPAC Name]
2,23-Diacetoxy-3-oxolupa-1,20(29)-dien-28-säure [German] [ACD/IUPAC Name]
Acide 2,23-diacétoxy-3-oxolupa-1,20(29)-dién-28-oïque [French] [ACD/IUPAC Name]
Lupa-1,20(29)-dien-28-oic acid, 2,23-bis(acetyloxy)-3-oxo- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3338816/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 655.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±6.0 kJ/mol
Flash Point: 200.4±25.0 °C
Index of Refraction: 1.555
Molar Refractivity: 153.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.85
ACD/LogD (pH 5.5): 6.13
ACD/BCF (pH 5.5): 15813.69
ACD/KOC (pH 5.5): 18770.02
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 248.49
ACD/KOC (pH 7.4): 294.94
Polar Surface Area: 107 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 479.5±5.0 cm3

Click to predict properties on the Chemicalize site


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