ChemSpider 2D Image | 4-[(E)-{4-Formyl-5-methyl-6-oxo-3-[(phosphonooxy)methyl]-1,6-dihydro-2-pyridinyl}diazenyl]-1,3-benzenedisulfonic acid | C14H14N3O12PS2

4-[(E)-{4-Formyl-5-methyl-6-oxo-3-[(phosphonooxy)methyl]-1,6-dihydro-2-pyridinyl}diazenyl]-1,3-benzenedisulfonic acid

  • Molecular FormulaC14H14N3O12PS2
  • Average mass511.378 Da
  • Monoisotopic mass510.975647 Da
  • ChemSpider ID8094158

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Benzenedisulfonic acid, 4-[(E)-2-[4-formyl-1,6-dihydro-5-methyl-6-oxo-3-[(phosphonooxy)methyl]-2-pyridinyl]diazenyl]- [ACD/Index Name]
4-[(E)-{4-Formyl-5-methyl-6-oxo-3-[(phosphonooxy)methyl]-1,6-dihydro-2-pyridinyl}diazenyl]-1,3-benzenedisulfonic acid [ACD/IUPAC Name]
4-[(E)-{4-Formyl-5-methyl-6-oxo-3-[(phosphonooxy)methyl]-1,6-dihydro-2-pyridinyl}diazenyl]-1,3-benzoldisulfonsäure [German] [ACD/IUPAC Name]
Acide 4-[(E)-{4-formyl-5-méthyl-6-oxo-3-[(phosphonooxy)méthyl]-1,6-dihydro-2-pyridinyl}diazényl]-1,3-benzènedisulfonique [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.729
Molar Refractivity: 104.7±0.5 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.43
ACD/LogD (pH 5.5): -7.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 273 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 100.2±7.0 dyne/cm
Molar Volume: 262.5±7.0 cm3

Click to predict properties on the Chemicalize site


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