ChemSpider 2D Image | Methyl 3-({[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]carbonyl}oxy)-21-oxolup-18-en-28-oate | C38H58O8

Methyl 3-({[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]carbonyl}oxy)-21-oxolup-18-en-28-oate

  • Molecular FormulaC38H58O8
  • Average mass642.862 Da
  • Monoisotopic mass642.413147 Da
  • ChemSpider ID8480360

More details:

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

3-({[(2,2-Diméthyl-1,3-dioxolan-4-yl)méthoxy]carbonyl}oxy)-21-oxolup-18-én-28-oate de méthyle [French] [ACD/IUPAC Name]
Lup-18-en-28-oic acid, 3-[[[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]carbonyl]oxy]-21-oxo-, methyl ester [ACD/Index Name]
Methyl 3-({[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]carbonyl}oxy)-21-oxolup-18-en-28-oate [ACD/IUPAC Name]
Methyl-3-({[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]carbonyl}oxy)-21-oxolup-18-en-28-oat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 675.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 273.5±31.5 °C
Index of Refraction: 1.541
Molar Refractivity: 174.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.85
ACD/LogD (pH 5.5): 8.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 860220.69
ACD/LogD (pH 7.4): 8.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 860220.69
Polar Surface Area: 97 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 554.4±5.0 cm3

Click to predict properties on the Chemicalize site


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