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ChemSpider 2D Image | aminopyrene trisulfonic acid | C16H11NO9S3

aminopyrene trisulfonic acid

  • Molecular FormulaC16H11NO9S3
  • Average mass457.455 Da
  • Monoisotopic mass456.960000 Da
  • ChemSpider ID25942983

More details:

Date of deprecation: 16:29, Jan 22, 2014
Reason for deprecation: Deprecate record: prospect / name-to structure conversion error

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

1,2,3-Pyrenetrisulfonic acid, 4-amino- [ACD/Index Name]
4-Amino-1,2,3-pyrenetrisulfonic acid [ACD/IUPAC Name]
4-Amino-1,2,3-pyrentrisulfonsäure [German] [ACD/IUPAC Name]
Acide 4-amino-1,2,3-pyrènetrisulfonique [French] [ACD/IUPAC Name]
aminopyrene trisulfonic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.0±0.0 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.878
Molar Refractivity: 106.3±0.0 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability: 42.2±0.0 10-24cm3
Surface Tension: 116.6±0.0 dyne/cm
Molar Volume: 232.6±0.0 cm3

Click to predict properties on the Chemicalize site