ChemSpider 2D Image | N~5~-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)-L-ornithine | C13H22N3O7P

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

  • Molecular FormulaC13H22N3O7P
  • Average mass363.303 Da
  • Monoisotopic mass363.119537 Da
  • ChemSpider ID61714578

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Ornithine, N5-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]- [ACD/Index Name]
N5-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)-L-ornithin [German] [ACD/IUPAC Name]
N5-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)-L-ornithine [ACD/IUPAC Name]
N5-({3-Hydroxy-2-méthyl-5-[(phosphonooxy)méthyl]-4-pyridinyl}méthyl)-L-ornithine [French] [ACD/IUPAC Name]
(E)-N5-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)methyl]pyridin-4-Yl}methylidene)-L-Ornithine
Z97

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

Density: 1.5±0.1 g/cm3
Boiling Point: 723.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 391.4±35.7 °C
Index of Refraction: 1.603
Molar Refractivity: 84.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -1.76
ACD/LogD (pH 5.5): -4.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 77.3±3.0 dyne/cm
Molar Volume: 245.5±3.0 cm3

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