ChemSpider 2D Image | (3alpha,18xi)-3-Acetoxy-30-hydroxylup-20(29)-ene-23,28-dioic acid | C32H48O7

(3α,18ξ)-3-Acetoxy-30-hydroxylup-20(29)-ene-23,28-dioic acid

  • Molecular FormulaC32H48O7
  • Average mass544.719 Da
  • Monoisotopic mass544.340027 Da
  • ChemSpider ID9551128

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(3α,18ξ)-3-Acetoxy-30-hydroxylup-20(29)-en-23,28-disäure [German] [ACD/IUPAC Name]
(3α,18ξ)-3-Acetoxy-30-hydroxylup-20(29)-ene-23,28-dioic acid [ACD/IUPAC Name]
Acide (3α,18ξ)-3-acétoxy-30-hydroxylup-20(29)-ène-23,28-dioïque [French] [ACD/IUPAC Name]
Lup-20(29)-ene-23,28-dioic acid, 3-(acetyloxy)-30-hydroxy-, (3α,18ξ)- [ACD/Index 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: 660.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±6.0 kJ/mol
Flash Point: 205.7±22.2 °C
Index of Refraction: 1.568
Molar Refractivity: 146.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 150.39
ACD/KOC (pH 5.5): 308.28
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 446.6±5.0 cm3

Click to predict properties on the Chemicalize site


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