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

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

  • Molecular FormulaC14H14N3O12PS2
  • Average mass511.378 Da
  • Monoisotopic mass510.975647 Da
  • ChemSpider ID26376637

  • Double-bond stereo - Double-bond stereo

More details:

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

1,4-Benzenedisulfonic acid, 2-[(Z)-2-[4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]-2-pyridinyl]diazenyl]- [ACD/Index Name]
2-[(Z)-{4-Formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]-2-pyridinyl}diazenyl]-1,4-benzenedisulfonic acid [ACD/IUPAC Name]
2-[(Z)-{4-Formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]-2-pyridinyl}diazenyl]-1,4-benzoldisulfonsäure [German] [ACD/IUPAC Name]
Acide 2-[(Z)-{4-formyl-5-hydroxy-6-méthyl-3-[(phosphonooxy)méthyl]-2-pyridinyl}diazényl]-1,4-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: -0.93
ACD/LogD (pH 5.5): -7.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 277 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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