ChemSpider 2D Image | N-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)-L-threonine | C12H19N2O8P

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

  • Molecular FormulaC12H19N2O8P
  • Average mass350.262 Da
  • Monoisotopic mass350.087891 Da
  • ChemSpider ID35034787
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

L-Threonine, N-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]- [ACD/Index Name]
N-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)-L-threonin [German] [ACD/IUPAC Name]
N-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)-L-threonine [ACD/IUPAC Name]
N-({3-Hydroxy-2-méthyl-5-[(phosphonooxy)méthyl]-4-pyridinyl}méthyl)-L-thréonine [French] [ACD/IUPAC Name]
N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)methyl]pyridin-4-Yl}methyl)-L-Threonine
2BO

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

Density: 1.6±0.1 g/cm3
Boiling Point: 753.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 409.7±35.7 °C
Index of Refraction: 1.613
Molar Refractivity: 77.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -1.54
ACD/LogD (pH 5.5): -5.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 82.8±3.0 dyne/cm
Molar Volume: 223.2±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement