ChemSpider 2D Image | Bis(2-methyl-2-propanyl) (3R)-3-({4-[1-(2,5-dihydro-3-furanyl)vinyl]benzyl}oxy)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-aspartate | C30H43NO8

Bis(2-methyl-2-propanyl) (3R)-3-({4-[1-(2,5-dihydro-3-furanyl)vinyl]benzyl}oxy)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-aspartate

  • Molecular FormulaC30H43NO8
  • Average mass545.664 Da
  • Monoisotopic mass545.298889 Da
  • ChemSpider ID30805647

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-3-({4-[1-(2,5-Dihydro-3-furanyl)vinyl]benzyl}oxy)-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-D-aspartate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) (3R)-3-({4-[1-(2,5-dihydro-3-furanyl)vinyl]benzyl}oxy)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-aspartate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-(3R)-3-({4-[1-(2,5-dihydro-3-furanyl)vinyl]benzyl}oxy)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-aspartat [German] [ACD/IUPAC Name]
D-Aspartic acid, 3-[[4-[1-(2,5-dihydro-3-furanyl)ethenyl]phenyl]methoxy]-N-[(1,1-dimethylethoxy)carbonyl]-, bis(1,1-dimethylethyl) ester, (3R)- [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: 636.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 338.9±31.5 °C
Index of Refraction: 1.520
Molar Refractivity: 147.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.24
ACD/LogD (pH 5.5): 7.21
ACD/BCF (pH 5.5): 178181.50
ACD/KOC (pH 5.5): 199591.39
ACD/LogD (pH 7.4): 7.21
ACD/BCF (pH 7.4): 177955.09
ACD/KOC (pH 7.4): 199337.78
Polar Surface Area: 109 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 485.8±3.0 cm3

Click to predict properties on the Chemicalize site


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