ChemSpider 2D Image | Isopropyl (3beta)-3,23,30-trihydroxylup-20(29)-en-28-oate | C33H54O5

Isopropyl (3β)-3,23,30-trihydroxylup-20(29)-en-28-oate

  • Molecular FormulaC33H54O5
  • Average mass530.779 Da
  • Monoisotopic mass530.397095 Da
  • ChemSpider ID26343588

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β)-3,23,30-Trihydroxylup-20(29)-én-28-oate d'isopropyle [French] [ACD/IUPAC Name]
Isopropyl (3β)-3,23,30-trihydroxylup-20(29)-en-28-oate [ACD/IUPAC Name]
Isopropyl-(3β)-3,23,30-trihydroxylup-20(29)-en-28-oat [German] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 3,23,30-trihydroxy-, 1-methylethyl 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: 611.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.1±6.0 kJ/mol
Flash Point: 184.8±19.4 °C
Index of Refraction: 1.534
Molar Refractivity: 150.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 30233.33
ACD/KOC (pH 5.5): 56068.17
ACD/LogD (pH 7.4): 6.20
ACD/BCF (pH 7.4): 30233.33
ACD/KOC (pH 7.4): 56068.17
Polar Surface Area: 87 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 483.6±3.0 cm3

Click to predict properties on the Chemicalize site


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