ChemSpider 2D Image | (E)-N~5~-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylene)-L-ornithine | C13H20N3O7P

(E)-N5-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylene)-L-ornithine

  • Molecular FormulaC13H20N3O7P
  • Average mass361.288 Da
  • Monoisotopic mass361.103882 Da
  • ChemSpider ID25059243

  • 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)-N5-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylen)-L-ornithin [German] [ACD/IUPAC Name]
(E)-N5-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylene)-L-ornithine [ACD/IUPAC Name]
(E)-N5-({3-Hydroxy-2-méthyl-5-[(phosphonooxy)méthyl]-4-pyridinyl}méthylène)-L-ornithine [French] [ACD/IUPAC Name]
(E)-N5-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)methyl]pyridin-4-Yl}methylidene)-L-Ornithine
L-Ornithine, N5-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]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: 738.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 400.4±35.7 °C
Index of Refraction: 1.625
Molar Refractivity: 81.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.82
ACD/LogD (pH 5.5): -5.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 71.2±7.0 dyne/cm
Molar Volume: 229.3±7.0 cm3

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