ChemSpider 2D Image | N-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)-3-[(2-hydroxyphenyl)amino]-D-alanine | C17H22N3O8P

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

  • Molecular FormulaC17H22N3O8P
  • Average mass427.346 Da
  • Monoisotopic mass427.114441 Da
  • ChemSpider ID35035705
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

D-Alanine, N-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]-3-[(2-hydroxyphenyl)amino]- [ACD/Index Name]
N-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)-3-[(2-hydroxyphenyl)amino]-D-alanin [German] [ACD/IUPAC Name]
N-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)-3-[(2-hydroxyphenyl)amino]-D-alanine [ACD/IUPAC Name]
N-({3-Hydroxy-2-méthyl-5-[(phosphonooxy)méthyl]-4-pyridinyl}méthyl)-3-[(2-hydroxyphényl)amino]-D-alanine [French] [ACD/IUPAC Name]
N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)methyl]pyridin-4-Yl}methyl)-3-[(2-Hydroxyphenyl)amino]-D-Alanine
AQ3

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

Density: 1.6±0.1 g/cm3
Boiling Point: 835.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.2±3.0 kJ/mol
Flash Point: 458.8±37.1 °C
Index of Refraction: 1.682
Molar Refractivity: 102.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -0.14
ACD/LogD (pH 5.5): -4.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 87.3±3.0 dyne/cm
Molar Volume: 271.1±3.0 cm3

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