ChemSpider 2D Image | Methyl (5xi,8xi,9xi,14xi,17xi,18xi,19xi,20xi)-2,3,11,19-tetrahydroxyurs-12-en-28-oate | C31H50O6

Methyl (5ξ,8ξ,9ξ,14ξ,17ξ,18ξ,19ξ,20ξ)-2,3,11,19-tetrahydroxyurs-12-en-28-oate

  • Molecular FormulaC31H50O6
  • Average mass518.725 Da
  • Monoisotopic mass518.360718 Da
  • ChemSpider ID4477930

  • defined stereocentres - 1 of 12 defined stereocentres

More details:

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

(5ξ,8ξ,9ξ,14ξ,17ξ,18ξ,19ξ,20ξ)-2,3,11,19-Tétrahydroxyurs-12-én-28-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (5ξ,8ξ,9ξ,14ξ,17ξ,18ξ,19ξ,20ξ)-2,3,11,19-tetrahydroxyurs-12-en-28-oate [ACD/IUPAC Name]
Methyl-(5ξ,8ξ,9ξ,14ξ,17ξ,18ξ,19ξ,20ξ)-2,3,11,19-tetrahydroxyurs-12-en-28-oat [German] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 2,3,11,19-tetrahydroxy-, methyl ester, (5ξ,8ξ,9ξ,14ξ,17ξ,18ξ,19ξ,20ξ)- [ACD/Index Name]
Methyl 11α-hydroxytormentate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 605.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.2±6.0 kJ/mol
Flash Point: 186.3±25.0 °C
Index of Refraction: 1.574
Molar Refractivity: 142.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5763.22
ACD/KOC (pH 5.5): 17118.91
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5763.21
ACD/KOC (pH 7.4): 17118.89
Polar Surface Area: 107 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 433.3±5.0 cm3

Click to predict properties on the Chemicalize site


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