ChemSpider 2D Image | (E)-N-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylene)-2-methyl-L-serine | C12H17N2O8P

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

  • Molecular FormulaC12H17N2O8P
  • Average mass348.246 Da
  • Monoisotopic mass348.072266 Da
  • ChemSpider ID25058767

  • 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)-2-methyl-L-serin [German] [ACD/IUPAC Name]
(E)-N-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylene)-2-methyl-L-serine [ACD/IUPAC Name]
(E)-N-({3-Hydroxy-2-méthyl-5-[(phosphonooxy)méthyl]-4-pyridinyl}méthylène)-2-méthyl-L-sérine [French] [ACD/IUPAC Name]
(S,E)-3-Hydroxy-2-((3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)pyridin-4-Yl)methyleneamino)-2-Methylpropanoic Acid
L-Serine, N-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene]-2-methyl-, (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: 725.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 392.4±35.7 °C
Index of Refraction: 1.611
Molar Refractivity: 75.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.08
ACD/LogD (pH 5.5): -5.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 70.9±7.0 dyne/cm
Molar Volume: 218.3±7.0 cm3

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