ChemSpider 2D Image | (3alpha,12beta,24R)-12-Acetoxy-25-hydroxy-20,24-epoxydammaran-3-yl ethyl malonate | C37H60O8

(3α,12β,24R)-12-Acetoxy-25-hydroxy-20,24-epoxydammaran-3-yl ethyl malonate

  • Molecular FormulaC37H60O8
  • Average mass632.867 Da
  • Monoisotopic mass632.428833 Da
  • ChemSpider ID24669083

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3α,12β,24R)-12-Acetoxy-25-hydroxy-20,24-epoxydammaran-3-yl ethyl malonate [ACD/IUPAC Name]
(3α,12β,24R)-12-Acetoxy-25-hydroxy-20,24-epoxydammaran-3-yl-ethyl-malonat [German] [ACD/IUPAC Name]
Malonate de (3α,12β,24R)-12-acétoxy-25-hydroxy-20,24-époxydammaran-3-yle et d'éthyle [French] [ACD/IUPAC Name]
Propanedioic acid, (3α,12β,24R)-12-(acetyloxy)-20,24-epoxy-25-hydroxydammaran-3-yl ethyl ester [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: 635.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.6±6.0 kJ/mol
Flash Point: 182.3±25.0 °C
Index of Refraction: 1.531
Molar Refractivity: 171.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.82
ACD/LogD (pH 5.5): 7.50
ACD/BCF (pH 5.5): 294872.03
ACD/KOC (pH 5.5): 286244.75
ACD/LogD (pH 7.4): 7.50
ACD/BCF (pH 7.4): 294854.22
ACD/KOC (pH 7.4): 286227.47
Polar Surface Area: 108 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 556.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement