ChemSpider 2D Image | 4-[({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)methyl]pyridin-4-Yl}methyl)amino]thiophene-2-Carboxylic Acid | C13H15N2O7PS

4-[({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)methyl]pyridin-4-Yl}methyl)amino]thiophene-2-Carboxylic Acid

  • Molecular FormulaC13H15N2O7PS
  • Average mass374.306 Da
  • Monoisotopic mass374.033752 Da
  • ChemSpider ID22378059

More details:

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

4-[({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)methyl]pyridin-4-Yl}methyl)amino]thiophene-2-Carboxylic Acid
PSZ

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

Density: 1.7±0.1 g/cm3
Boiling Point: 787.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 429.9±35.7 °C
Index of Refraction: 1.716
Molar Refractivity: 87.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.21
ACD/LogD (pH 5.5): -4.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 187 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 95.8±3.0 dyne/cm
Molar Volume: 221.4±3.0 cm3

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