ChemSpider 2D Image | MFCD18326952 | C7H11NO5

MFCD18326952

  • Molecular FormulaC7H11NO5
  • Average mass189.166 Da
  • Monoisotopic mass189.063721 Da
  • ChemSpider ID28547099

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(Acetylamino)-4-methoxy-4-oxobutanoic acid
(2S)-2-Acetamido-4-methoxy-4-oxobutanoic acid [ACD/IUPAC Name]
(2S)-2-Acetamido-4-methoxy-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-acétamido-4-méthoxy-4-oxobutanoïque [French] [ACD/IUPAC Name]
L-Aspartic acid, N-acetyl-, 4-methyl ester [ACD/Index Name]
MFCD18326952
4910-43-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 458.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.8±6.0 kJ/mol
Flash Point: 231.0±27.3 °C
Index of Refraction: 1.470
Molar Refractivity: 41.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.67
ACD/LogD (pH 5.5): -3.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 16.4±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 148.5±3.0 cm3

Click to predict properties on the Chemicalize site


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