ChemSpider 2D Image | (3alpha,24R)-25-Hydroxy-20,24-epoxydammaran-3-yl isobutyl malonate | C37H62O6

(3α,24R)-25-Hydroxy-20,24-epoxydammaran-3-yl isobutyl malonate

  • Molecular FormulaC37H62O6
  • Average mass602.885 Da
  • Monoisotopic mass602.454651 Da
  • ChemSpider ID24669868

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3α,24R)-25-Hydroxy-20,24-epoxydammaran-3-yl isobutyl malonate [ACD/IUPAC Name]
(3α,24R)-25-Hydroxy-20,24-epoxydammaran-3-yl-isobutyl-malonat [German] [ACD/IUPAC Name]
Malonate de (3α,24R)-25-hydroxy-20,24-époxydammaran-3-yle et d'isobutyle [French] [ACD/IUPAC Name]
Propanedioic acid, (3α,24R)-20,24-epoxy-25-hydroxydammaran-3-yl 2-methylpropyl 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: 615.8±25.0 °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: 176.0±16.7 °C
Index of Refraction: 1.527
Molar Refractivity: 170.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.67
ACD/LogD (pH 5.5): 9.05
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1999948.00
ACD/LogD (pH 7.4): 9.05
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1999811.88
Polar Surface Area: 82 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 43.0±5.0 dyne/cm
Molar Volume: 553.4±5.0 cm3

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