ChemSpider 2D Image | N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-threoninamide | C9H18N2O4

N2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-threoninamide

  • Molecular FormulaC9H18N2O4
  • Average mass218.250 Da
  • Monoisotopic mass218.126663 Da
  • ChemSpider ID58825327

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Carbamic acid, N-[(1R,2S)-1-(aminocarbonyl)-2-hydroxypropyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-threoninamid [German] [ACD/IUPAC Name]
N2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-threoninamide [ACD/IUPAC Name]
N2-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-D-thréoninamide [French] [ACD/IUPAC Name]
L-t-butoxycarbonylthreonine amide

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

CCRIS 4693 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 412.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±6.0 kJ/mol
Flash Point: 203.0±27.3 °C
Index of Refraction: 1.486
Molar Refractivity: 54.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.65
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.64
Polar Surface Area: 102 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 188.5±3.0 cm3

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