ChemSpider 2D Image | Benzyl (2beta,3beta)-3,23-dihydroxy-2-(hydroxymethyl)lup-20(29)-en-28-oate | C38H56O5

Benzyl (2β,3β)-3,23-dihydroxy-2-(hydroxymethyl)lup-20(29)-en-28-oate

  • Molecular FormulaC38H56O5
  • Average mass592.848 Da
  • Monoisotopic mass592.412781 Da
  • ChemSpider ID58116277

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2β,3β)-3,23-Dihydroxy-2-(hydroxyméthyl)lup-20(29)-én-28-oate de benzyle [French] [ACD/IUPAC Name]
Benzyl (2β,3β)-3,23-dihydroxy-2-(hydroxymethyl)lup-20(29)-en-28-oate [ACD/IUPAC Name]
Benzyl-(2β,3β)-3,23-dihydroxy-2-(hydroxymethyl)lup-20(29)-en-28-oat [German] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 3,23-dihydroxy-2-(hydroxymethyl)-, phenylmethyl ester, (2β,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: 671.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 199.9±19.4 °C
Index of Refraction: 1.553
Molar Refractivity: 170.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.28
ACD/LogD (pH 5.5): 7.46
ACD/BCF (pH 5.5): 273377.22
ACD/KOC (pH 5.5): 271149.59
ACD/LogD (pH 7.4): 7.46
ACD/BCF (pH 7.4): 273377.22
ACD/KOC (pH 7.4): 271149.59
Polar Surface Area: 87 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 532.0±3.0 cm3

Click to predict properties on the Chemicalize site


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