ChemSpider 2D Image | Ethoxymethyl (2alpha,3beta,5xi,9xi,18xi)-2,3,23-trihydroxyurs-12-en-28-oate | C33H54O6

Ethoxymethyl (2α,3β,5ξ,9ξ,18ξ)-2,3,23-trihydroxyurs-12-en-28-oate

  • Molecular FormulaC33H54O6
  • Average mass546.778 Da
  • Monoisotopic mass546.392029 Da
  • ChemSpider ID8160519

  • defined stereocentres - 9 of 12 defined stereocentres

More details:

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

(2α,3β,5ξ,9ξ,18ξ)-2,3,23-Trihydroxyurs-12-én-28-oate d'éthoxyméthyle [French] [ACD/IUPAC Name]
Ethoxymethyl (2α,3β,5ξ,9ξ,18ξ)-2,3,23-trihydroxyurs-12-en-28-oate [ACD/IUPAC Name]
Ethoxymethyl-(2α,3β,5ξ,9ξ,18ξ)-2,3,23-trihydroxyurs-12-en-28-oat [German] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 2,3,23-trihydroxy-, ethoxymethyl ester, (2α,3β,5ξ,9ξ,18ξ)- [ACD/Index Name]
ethoxymethyl 17,18-dihydroxy-19-hydroxymethyl-1,2,8,9,15,19-hexamethylpentacyclo[12.8.0.02,11.05,10.015,20]docos-11-ene-5-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 615.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.7±6.0 kJ/mol
Flash Point: 185.4±25.0 °C
Index of Refraction: 1.557
Molar Refractivity: 152.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.30
ACD/LogD (pH 5.5): 6.86
ACD/BCF (pH 5.5): 96152.84
ACD/KOC (pH 5.5): 128346.25
ACD/LogD (pH 7.4): 6.86
ACD/BCF (pH 7.4): 96152.84
ACD/KOC (pH 7.4): 128346.25
Polar Surface Area: 96 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 473.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement