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Search term: OEULMZWKJBFRJF (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (E)-N-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridiniumyl}methylene)aspartic acid | C12H16N2O9P

(E)-N-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridiniumyl}methylene)aspartic acid

  • Molecular FormulaC12H16N2O9P
  • Average mass363.237 Da
  • Monoisotopic mass363.058807 Da
  • ChemSpider ID22377471
  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(E)-N-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridiniumyl}methylen)asparaginsäure [German] [ACD/IUPAC Name]
(E)-N-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridiniumyl}methylene)aspartic acid [ACD/IUPAC Name]
Acide (E)-N-({3-hydroxy-2-méthyl-5-[(phosphonooxy)méthyl]-4-pyridiniumyl}méthylène)aspartique [French] [ACD/IUPAC Name]
Aspartic acid, N-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene]-, conjugate monoacid, (E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point: 712.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 384.4±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -6.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Surface Tension:
Molar Volume:

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