ChemSpider 2D Image | Hexyl (3alpha,24R)-25-hydroxy-20,24-epoxydammaran-3-yl malonate | C39H66O6

Hexyl (3α,24R)-25-hydroxy-20,24-epoxydammaran-3-yl malonate

  • Molecular FormulaC39H66O6
  • Average mass630.938 Da
  • Monoisotopic mass630.485962 Da
  • ChemSpider ID24669867

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

Hexyl (3α,24R)-25-hydroxy-20,24-epoxydammaran-3-yl malonate [ACD/IUPAC Name]
Hexyl-(3α,24R)-25-hydroxy-20,24-epoxydammaran-3-yl-malonat [German] [ACD/IUPAC Name]
Malonate d'hexyle et de (3α,24R)-25-hydroxy-20,24-époxydammaran-3-yle [French] [ACD/IUPAC Name]
Propanedioic acid, (3α,24R)-20,24-epoxy-25-hydroxydammaran-3-yl hexyl 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: 639.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±6.0 kJ/mol
Flash Point: 180.8±16.7 °C
Index of Refraction: 1.525
Molar Refractivity: 179.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 10.92
ACD/LogD (pH 5.5): 10.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8910461.00
ACD/LogD (pH 7.4): 10.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8910040.00
Polar Surface Area: 82 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 584.9±5.0 cm3

Click to predict properties on the Chemicalize site


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