ChemSpider 2D Image | (Z)-N-(1-Hydroxyethylidene)(2-~2~H)aspartic acid | C6H8DNO5

(Z)-N-(1-Hydroxyethylidene)(2-2H)aspartic acid

  • Molecular FormulaC6H8DNO5
  • Average mass176.145 Da
  • Monoisotopic mass176.054352 Da
  • ChemSpider ID57267198

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(Z)-N-(1-Hydroxyethyliden)(2-2H)asparaginsäure [German] [ACD/IUPAC Name]
(Z)-N-(1-Hydroxyethylidene)(2-2H)aspartic acid [ACD/IUPAC Name]
Acide (Z)-N-(1-hydroxyéthylidène)(2-2H)aspartique [French] [ACD/IUPAC Name]
Aspartic-2-d acid, N-(1-hydroxyethylidene)-, (Z)- [ACD/Index Name]
N-ACETYL-L-ASPARTIC ACID-2,3,3-D3

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

Density: 1.5±0.1 g/cm3
Boiling Point: 329.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.2±6.0 kJ/mol
Flash Point: 152.8±30.7 °C
Index of Refraction: 1.538
Molar Refractivity: 37.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.09
ACD/LogD (pH 5.5): -3.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 119.4±7.0 cm3

Click to predict properties on the Chemicalize site


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