ChemSpider 2D Image | Isopropyl (1alpha,2beta,3beta)-1,2,3-trihydroxyurs-12-en-28-oate | C33H54O5

Isopropyl (1α,2β,3β)-1,2,3-trihydroxyurs-12-en-28-oate

  • Molecular FormulaC33H54O5
  • Average mass530.779 Da
  • Monoisotopic mass530.397095 Da
  • ChemSpider ID58986851

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1α,2β,3β)-1,2,3-Trihydroxyurs-12-én-28-oate d'isopropyle [French] [ACD/IUPAC Name]
Isopropyl (1α,2β,3β)-1,2,3-trihydroxyurs-12-en-28-oate [ACD/IUPAC Name]
Isopropyl-(1α,2β,3β)-1,2,3-trihydroxyurs-12-en-28-oat [German] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 1,2,3-trihydroxy-, 1-methylethyl ester, (1α,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: 579.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.6±6.0 kJ/mol
Flash Point: 172.2±23.6 °C
Index of Refraction: 1.555
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 8.22
ACD/LogD (pH 5.5): 7.68
ACD/BCF (pH 5.5): 405362.34
ACD/KOC (pH 5.5): 359473.53
ACD/LogD (pH 7.4): 7.68
ACD/BCF (pH 7.4): 405362.34
ACD/KOC (pH 7.4): 359473.53
Polar Surface Area: 87 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 469.0±5.0 cm3

Click to predict properties on the Chemicalize site


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