ChemSpider 2D Image | (3R,4R)-3-Methyl-5-[(2-methyl-2-propanyl)oxy]-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoic acid | C15H27NO6

(3R,4R)-3-Methyl-5-[(2-methyl-2-propanyl)oxy]-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoic acid

  • Molecular FormulaC15H27NO6
  • Average mass317.378 Da
  • Monoisotopic mass317.183838 Da
  • ChemSpider ID30651786

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-3-Methyl-5-[(2-methyl-2-propanyl)oxy]-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoic acid [ACD/IUPAC Name]
(3R,4R)-3-Methyl-5-[(2-methyl-2-propanyl)oxy]-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide (3R,4R)-3-méthyl-5-[(2-méthyl-2-propanyl)oxy]-4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoïque [French] [ACD/IUPAC Name]
D-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-, 1-(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: 456.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.5±6.0 kJ/mol
Flash Point: 229.7±27.3 °C
Index of Refraction: 1.469
Molar Refractivity: 80.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 11.75
ACD/KOC (pH 5.5): 99.84
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.58
Polar Surface Area: 102 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 287.4±3.0 cm3

Click to predict properties on the Chemicalize site


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