ChemSpider 2D Image | N~2~-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)-L-glutamine | C13H20N3O8P

N2-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)-L-glutamine

  • Molecular FormulaC13H20N3O8P
  • Average mass377.287 Da
  • Monoisotopic mass377.098816 Da
  • ChemSpider ID25058627
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

L-Glutamine, N2-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]- [ACD/Index Name]
N2-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)-L-glutamin [German] [ACD/IUPAC Name]
N2-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)-L-glutamine [ACD/IUPAC Name]
N2-({3-Hydroxy-2-méthyl-5-[(phosphonooxy)méthyl]-4-pyridinyl}méthyl)-L-glutamine [French] [ACD/IUPAC Name]
N2-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-glutamine
QLP

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

Density: 1.6±0.1 g/cm3
Boiling Point: 845.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.7±3.0 kJ/mol
Flash Point: 465.0±37.1 °C
Index of Refraction: 1.613
Molar Refractivity: 84.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -2.22
ACD/LogD (pH 5.5): -5.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 83.3±3.0 dyne/cm
Molar Volume: 242.7±3.0 cm3

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