ChemSpider 2D Image | 3-[(E)-{4-Formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]-2-pyridinyl}diazenyl]-7-nitro-1,5-naphthalenedisulfonic acid | C18H15N4O14PS2

3-[(E)-{4-Formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]-2-pyridinyl}diazenyl]-7-nitro-1,5-naphthalenedisulfonic acid

  • Molecular FormulaC18H15N4O14PS2
  • Average mass606.434 Da
  • Monoisotopic mass605.976379 Da
  • ChemSpider ID23210068

  • Double-bond stereo - Double-bond stereo

More details:

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

1,5-Naphthalenedisulfonic acid, 3-[(E)-2-[4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]-2-pyridinyl]diazenyl]-7-nitro- [ACD/Index Name]
3-[(E)-{4-Formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]-2-pyridinyl}diazenyl]-7-nitro-1,5-naphthalenedisulfonic acid [ACD/IUPAC Name]
3-[(E)-{4-Formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]-2-pyridinyl}diazenyl]-7-nitro-1,5-naphthalindisulfonsäure [German] [ACD/IUPAC Name]
3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid
Acide 3-[(E)-{4-formyl-5-hydroxy-6-méthyl-3-[(phosphonooxy)méthyl]-2-pyridinyl}diazényl]-7-nitro-1,5-naphtalènedisulfonique [French] [ACD/IUPAC Name]
PPNDS

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.771
Molar Refractivity: 126.2±0.5 cm3
#H bond acceptors: 18
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.35
ACD/LogD (pH 5.5): -7.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 323 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 107.1±7.0 dyne/cm
Molar Volume: 303.3±7.0 cm3

Click to predict properties on the Chemicalize site


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