ChemSpider 2D Image | (E)-N-{2-Hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-L-aspartic acid | C13H16NO9P

(E)-N-{2-Hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-L-aspartic acid

  • Molecular FormulaC13H16NO9P
  • Average mass361.241 Da
  • Monoisotopic mass361.056274 Da
  • ChemSpider ID26325537

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(E)-N-{2-Hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzyliden}-L-asparaginsäure [German] [ACD/IUPAC Name]
(E)-N-{2-Hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-L-aspartic acid [ACD/IUPAC Name]
Acide (E)-N-{2-hydroxy-3-méthyl-6-[(phosphonooxy)méthyl]benzylidène}-L-aspartique [French] [ACD/IUPAC Name]
L-Aspartic acid, N-[[2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]phenyl]methylene]-, (E)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 625.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 332.2±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 77.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.03
ACD/LogD (pH 5.5): -5.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 184 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 73.2±7.0 dyne/cm
Molar Volume: 222.4±7.0 cm3

Click to predict properties on the Chemicalize site


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