ChemSpider 2D Image | (2E)-3-(3-Fluoro-4-hydroxyphenyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4(1H)-pyridinylidene}methyl]imino}propanoic acid | C17H18FN2O8P

(2E)-3-(3-Fluoro-4-hydroxyphenyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4(1H)-pyridinylidene}methyl]imino}propanoic acid

  • Molecular FormulaC17H18FN2O8P
  • Average mass428.306 Da
  • Monoisotopic mass428.078491 Da
  • ChemSpider ID26328437

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3-Fluor-4-hydroxyphenyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4(1H)-pyridinyliden}methyl]imino}propansäure [German] [ACD/IUPAC Name]
(2E)-3-(3-Fluoro-4-hydroxyphenyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4(1H)-pyridinylidene}methyl]imino}propanoic acid [ACD/IUPAC Name]
(2e)-3-(3-Fluoro-4-Hydroxyphenyl)-2-{[(Z)-{3-Hydroxy-2-Methyl-5-[(Phosphonooxy)methyl]pyridin-4(1h)-Ylidene}methyl]imino}propanoic Acid
Acide (2E)-3-(3-fluoro-4-hydroxyphényl)-2-{[(Z)-{3-hydroxy-2-méthyl-5-[(phosphonooxy)méthyl]-4(1H)-pyridinylidène}méthyl]imino}propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 3-fluoro-4-hydroxy-α-[[(Z)-[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4(1H)-pyridinylidene]methyl]imino]-, (αE)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 639.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 340.3±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 95.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.46
ACD/LogD (pH 5.5): -5.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 65.8±7.0 dyne/cm
Molar Volume: 268.4±7.0 cm3

Click to predict properties on the Chemicalize site


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