ChemSpider 2D Image | (5-Hydroxy-4-{[(Z)-(3-hydroxy-1,2-oxazol-4(5H)-ylidene)amino]methyl}-6-methyl-3-pyridinyl)methyl dihydrogen phosphate | C11H14N3O7P

(5-Hydroxy-4-{[(Z)-(3-hydroxy-1,2-oxazol-4(5H)-ylidene)amino]methyl}-6-methyl-3-pyridinyl)methyl dihydrogen phosphate

  • Molecular FormulaC11H14N3O7P
  • Average mass331.219 Da
  • Monoisotopic mass331.056946 Da
  • ChemSpider ID58829637

  • Double-bond stereo - Double-bond stereo

More details:

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

(5-Hydroxy-4-{[(Z)-(3-hydroxy-1,2-oxazol-4(5H)-yliden)amino]methyl}-6-methyl-3-pyridinyl)methyldihydrogenphosphat [German] [ACD/IUPAC Name]
(5-Hydroxy-4-{[(Z)-(3-hydroxy-1,2-oxazol-4(5H)-ylidene)amino]methyl}-6-methyl-3-pyridinyl)methyl dihydrogen phosphate [ACD/IUPAC Name]
3-Pyridinemethanol, 5-hydroxy-4-[[[(4Z)-3-hydroxy-4(5H)-isoxazolylidene]amino]methyl]-6-methyl-, α-(dihydrogen phosphate) [ACD/Index Name]
Dihydrogénophosphate de (5-hydroxy-4-{[(Z)-(3-hydroxy-1,2-oxazol-4(5H)-ylidène)amino]méthyl}-6-méthyl-3-pyridinyl)méthyle [French] [ACD/IUPAC Name]
[5-hydroxy-6-methyl-4-({[(4E)-3-oxo-1,2-oxazolidin-4-ylidene]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate

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

Density: 1.8±0.1 g/cm3
Boiling Point: 692.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 372.4±34.3 °C
Index of Refraction: 1.690
Molar Refractivity: 71.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.44
ACD/LogD (pH 5.5): -4.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 82.6±7.0 dyne/cm
Molar Volume: 185.8±7.0 cm3

Click to predict properties on the Chemicalize site


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