ChemSpider 2D Image | 4-[(2E)-2-{(5Z)-3-(Hydroxymethyl)-2,6-dioxo-5-[(4-sulfo-1-naphthyl)hydrazono]-3-cyclohexen-1-ylidene}hydrazino]-1-naphthalenesulfonic acid | C27H20N4O9S2

4-[(2E)-2-{(5Z)-3-(Hydroxymethyl)-2,6-dioxo-5-[(4-sulfo-1-naphthyl)hydrazono]-3-cyclohexen-1-ylidene}hydrazino]-1-naphthalenesulfonic acid

  • Molecular FormulaC27H20N4O9S2
  • Average mass608.599 Da
  • Monoisotopic mass608.067139 Da
  • ChemSpider ID123246867

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Naphthalenesulfonic acid, 4-[(2E)-2-[(5Z)-3-(hydroxymethyl)-2,6-dioxo-5-[2-(4-sulfo-1-naphthalenyl)hydrazinylidene]-3-cyclohexen-1-ylidene]hydrazinyl]- [ACD/Index Name]
4-[(2E)-2-{(5Z)-3-(Hydroxymethyl)-2,6-dioxo-5-[(4-sulfo-1-naphthyl)hydrazono]-3-cyclohexen-1-yliden}hydrazino]-1-naphthalinsulfonsäure [German] [ACD/IUPAC Name]
4-[(2E)-2-{(5Z)-3-(Hydroxymethyl)-2,6-dioxo-5-[(4-sulfo-1-naphthyl)hydrazono]-3-cyclohexen-1-ylidene}hydrazino]-1-naphthalenesulfonic acid [ACD/IUPAC Name]
Acide 4-[(2E)-2-{(5Z)-3-(hydroxyméthyl)-2,6-dioxo-5-[(4-sulfo-1-naphtyl)hydrazono]-3-cyclohexén-1-ylidène}hydrazino]-1-naphtalènesulfonique [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.748
Molar Refractivity: 150.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.38
ACD/LogD (pH 5.5): -2.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 229 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 76.4±7.0 dyne/cm
Molar Volume: 369.6±7.0 cm3

Click to predict properties on the Chemicalize site


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