ChemSpider 2D Image | N-Acetyl-L-beta-aspartyl-D-glutamic acid | C11H16N2O8

N-Acetyl-L-β-aspartyl-D-glutamic acid

  • Molecular FormulaC11H16N2O8
  • Average mass304.253 Da
  • Monoisotopic mass304.090668 Da
  • ChemSpider ID26399553

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-[[(3S)-3-acetamido-3-carboxy-1-oxopropyl]amino]pentanedioic acid
Acide N-acétyl-L-β-aspartyl-D-glutamique [French] [ACD/IUPAC Name]
D-Glutamic acid, N-acetyl-L-β-aspartyl- [ACD/Index Name]
N-Acetyl-L-β-asparagyl-D-glutaminsäure [German] [ACD/IUPAC Name]
N-Acetyl-L-β-aspartyl-D-glutamic acid [ACD/IUPAC Name]
(2R)-2-[(3S)-3-carboxy-3-acetamidopropanamido]pentanedioic acid
N-(N-Acetyl-l-β-aspartyl)-l-glutamic acid
N-(N-Acetyl-l-β-aspartyl)-l-glutamic acid
N-(N-Acetyl-l-β-aspartyl)-l-glutamic acid ; NAAG
Naabak
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 775.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 122.8±6.0 kJ/mol
Flash Point: 423.0±32.9 °C
Index of Refraction: 1.540
Molar Refractivity: 64.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -2.90
ACD/LogD (pH 5.5): -7.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 69.2±3.0 dyne/cm
Molar Volume: 206.6±3.0 cm3

Click to predict properties on the Chemicalize site


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