ChemSpider 2D Image | 3-Hydroxy-2-(hydroxymethyl)propyl (3beta)-3-hydroxylup-20(29)-en-28-oate | C34H56O5

3-Hydroxy-2-(hydroxymethyl)propyl (3β)-3-hydroxylup-20(29)-en-28-oate

  • Molecular FormulaC34H56O5
  • Average mass544.805 Da
  • Monoisotopic mass544.412781 Da
  • ChemSpider ID25052332

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β)-3-Hydroxylup-20(29)-én-28-oate de 3-hydroxy-2-(hydroxyméthyl)propyle [French] [ACD/IUPAC Name]
3-Hydroxy-2-(hydroxymethyl)propyl (3β)-3-hydroxylup-20(29)-en-28-oate [ACD/IUPAC Name]
3-Hydroxy-2-(hydroxymethyl)propyl-(3β)-3-hydroxylup-20(29)-en-28-oat [German] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 3-hydroxy-, 3-hydroxy-2-(hydroxymethyl)propyl ester, (3β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 602.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.9±6.0 kJ/mol
Flash Point: 179.0±22.2 °C
Index of Refraction: 1.533
Molar Refractivity: 154.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.49
ACD/LogD (pH 5.5): 7.07
ACD/BCF (pH 5.5): 139564.03
ACD/KOC (pH 5.5): 167573.75
ACD/LogD (pH 7.4): 7.07
ACD/BCF (pH 7.4): 139564.03
ACD/KOC (pH 7.4): 167573.75
Polar Surface Area: 87 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 499.1±3.0 cm3

Click to predict properties on the Chemicalize site


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