ChemSpider 2D Image | Methyl (2alpha,3beta,17xi)-2,3,23-triacetoxyursa-12,18-dien-28-oate | C37H54O8

Methyl (2α,3β,17ξ)-2,3,23-triacetoxyursa-12,18-dien-28-oate

  • Molecular FormulaC37H54O8
  • Average mass626.820 Da
  • Monoisotopic mass626.381897 Da
  • ChemSpider ID8547219

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(2α,3β,17ξ)-2,3,23-Triacétoxyursa-12,18-dién-28-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (2α,3β,17ξ)-2,3,23-triacetoxyursa-12,18-dien-28-oate [ACD/IUPAC Name]
Methyl-(2α,3β,17ξ)-2,3,23-triacetoxyursa-12,18-dien-28-oat [German] [ACD/IUPAC Name]
Ursa-12,18-dien-28-oic acid, 2,3,23-tris(acetyloxy)-, methyl ester, (2α,3β,17ξ)- [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: 638.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 258.8±31.5 °C
Index of Refraction: 1.541
Molar Refractivity: 169.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.85
ACD/LogD (pH 5.5): 8.88
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1609377.38
ACD/LogD (pH 7.4): 8.88
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1609377.38
Polar Surface Area: 105 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 540.2±5.0 cm3

Click to predict properties on the Chemicalize site


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