ChemSpider 2D Image | (E)-N-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylene)-L-glutamic acid | C13H17N2O9P

(E)-N-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylene)-L-glutamic acid

  • Molecular FormulaC13H17N2O9P
  • Average mass376.256 Da
  • Monoisotopic mass376.067169 Da
  • ChemSpider ID25058985

  • 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-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylen)-L-glutaminsäure [German] [ACD/IUPAC Name]
(E)-N-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylene)-L-glutamic acid [ACD/IUPAC Name]
(E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)methyl]pyridin-4-Yl}methylidene)-L-Glutamic Acid
21888-14-2 [RN]
Acide (E)-N-({3-hydroxy-2-méthyl-5-[(phosphonooxy)méthyl]-4-pyridinyl}méthylène)-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene]-, (E)- [ACD/Index Name]

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

UP2U9O910M [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 764.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 416.4±35.7 °C
Index of Refraction: 1.631
Molar Refractivity: 80.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.29
ACD/LogD (pH 5.5): -6.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 197 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 75.9±7.0 dyne/cm
Molar Volume: 227.1±7.0 cm3

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