ChemSpider 2D Image | (3E)-4-{3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}-2-oxo-3-butenoic acid | C11H12NO8P

(3E)-4-{3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}-2-oxo-3-butenoic acid

  • Molecular FormulaC11H12NO8P
  • Average mass317.189 Da
  • Monoisotopic mass317.030060 Da
  • ChemSpider ID25056883

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-4-{3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}-2-oxo-3-butenoic acid [ACD/IUPAC Name]
(3E)-4-{3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}-2-oxo-3-butensäure [German] [ACD/IUPAC Name]
(3e)-4-{3-Hydroxy-2-Methyl-5-[(Phosphonooxy)methyl]pyridin-4-Yl}-2-Oxobut-3-Enoic Acid
3-Butenoic acid, 4-[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]-2-oxo-, (3E)- [ACD/Index Name]
Acide (3E)-4-{3-hydroxy-2-méthyl-5-[(phosphonooxy)méthyl]-4-pyridinyl}-2-oxo-3-buténoïque [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 695.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 374.3±34.3 °C
Index of Refraction: 1.663
Molar Refractivity: 69.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -6.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 93.4±3.0 dyne/cm
Molar Volume: 188.4±3.0 cm3

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