ChemSpider 2D Image | 5-{[2,4-Bis(phosphonooxy)benzyl]amino}-1-naphthalenesulfonic acid | C17H17NO11P2S

5-{[2,4-Bis(phosphonooxy)benzyl]amino}-1-naphthalenesulfonic acid

  • Molecular FormulaC17H17NO11P2S
  • Average mass505.329 Da
  • Monoisotopic mass504.999756 Da
  • ChemSpider ID168536

More details:

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

1-Naphthalenesulfonic acid, 5-[[[2,4-bis(phosphonooxy)phenyl]methyl]amino]- [ACD/Index Name]
5-{[2,4-Bis(phosphonooxy)benzyl]amino}-1-naphthalenesulfonic acid [ACD/IUPAC Name]
5-{[2,4-Bis(phosphonooxy)benzyl]amino}-1-naphthalinsulfonsäure [German] [ACD/IUPAC Name]
Acide 5-{[2,4-bis(phosphonooxy)benzyl]amino}-1-naphtalènesulfonique [French] [ACD/IUPAC Name]
1-Naphthalenesulfonic acid, 5-(((2,4-bis(phosphonooxy)phenyl)methyl)amino)-, (3R-(3α,4aβ,5β,6β,6aα,10α,10aβ,10bα))-
5-{[2,4-BIS(PHOSPHONOOXY)BENZYL]AMINO}NAPHTHALENE-1-SULFONIC ACID
66731-46-2 [RN]
77242-25-2 [RN]
Dipans

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.722
Molar Refractivity: 110.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.46
ACD/LogD (pH 5.5): -8.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 104.0±3.0 dyne/cm
Molar Volume: 279.8±3.0 cm3

Click to predict properties on the Chemicalize site


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