ChemSpider 2D Image | 4,4'-[(3beta,8alpha,10alpha,13alpha,17alpha,18beta,19beta)-Lup-20(29)-ene-3,28-diylbis(oxy)]bis(4-oxobutanoic acid) | C38H58O8

4,4'-[(3β,8α,10α,13α,17α,18β,19β)-Lup-20(29)-ene-3,28-diylbis(oxy)]bis(4-oxobutanoic acid)

  • Molecular FormulaC38H58O8
  • Average mass642.862 Da
  • Monoisotopic mass642.413147 Da
  • ChemSpider ID10082677

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4,4'-[(3β,8α,10α,13α,17α,18β,19β)-Lup-20(29)-en-3,28-diylbis(oxy)]bis(4-oxobutansäure) [German] [ACD/IUPAC Name]
4,4'-[(3β,8α,10α,13α,17α,18β,19β)-Lup-20(29)-ene-3,28-diylbis(oxy)]bis(4-oxobutanoic acid) [ACD/IUPAC Name]
Acide 4,4'-[(3β,8α,10α,13α,17α,18β,19β)-lup-20(29)-ène-3,28-diylbis(oxy)]bis(4-oxobutanoïque) [French] [ACD/IUPAC Name]
Butanedioic acid, 1,1'-(3β,8α,10α,13α,17α,18β,19β)-lup-20(29)-ene-3,28-diyl ester [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: 716.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 114.1±6.0 kJ/mol
Flash Point: 212.1±22.2 °C
Index of Refraction: 1.548
Molar Refractivity: 174.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 10.03
ACD/LogD (pH 5.5): 6.53
ACD/BCF (pH 5.5): 15739.64
ACD/KOC (pH 5.5): 8193.60
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 50.76
ACD/KOC (pH 7.4): 26.42
Polar Surface Area: 127 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 548.3±5.0 cm3

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