ChemSpider 2D Image | N-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)-D-serine | C11H17N2O8P

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

  • Molecular FormulaC11H17N2O8P
  • Average mass336.235 Da
  • Monoisotopic mass336.072266 Da
  • ChemSpider ID61711311
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

D-Serine, 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)-D-serin [German] [ACD/IUPAC Name]
N-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)-D-serine [ACD/IUPAC Name]
N-({3-Hydroxy-2-méthyl-5-[(phosphonooxy)méthyl]-4-pyridinyl}méthyl)-D-sérine [French] [ACD/IUPAC Name]
(2r)-2-[(E)-[2-Methyl-3-Oxidanyl-5-(Phosphonooxymethyl)pyridin-4-Yl]methylideneamino]-3-Oxidanyl-Propanoic Acid
1W9

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

Density: 1.6±0.1 g/cm3
Boiling Point: 771.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.9±3.0 kJ/mol
Flash Point: 420.5±35.7 °C
Index of Refraction: 1.627
Molar Refractivity: 73.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -1.88
ACD/LogD (pH 5.5): -5.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 90.3±3.0 dyne/cm
Molar Volume: 206.3±3.0 cm3

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