ChemSpider 2D Image | 1-Amino-4-{[4-({4-chloro-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydro-2-anthracenesulfonate | C29H17ClN7O11S3

1-Amino-4-{[4-({4-chloro-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydro-2-anthracenesulfonate

  • Molecular FormulaC29H17ClN7O11S3
  • Average mass771.135 Da
  • Monoisotopic mass769.985291 Da
  • ChemSpider ID2872969

  • Charge - Charge

More details:

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

1-Amino-4-{[4-({4-chlor-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydro-2-anthracensulfonat [German] [ACD/IUPAC Name]
1-Amino-4-{[4-({4-chloro-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydro-2-anthracenesulfonate [ACD/IUPAC Name]
1-Amino-4-{[4-({4-chloro-6-[(4-sulfonatophényl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfonatophényl]amino}-9,10-dioxo-9,10-dihydro-2-anthracènesulfonate [French] [ACD/IUPAC Name]
2-Anthracenesulfonic acid, 1-amino-4-[[4-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-3-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, ion(3-) [ACD/Index Name]
(cibacron blue,para isomer)1-Amino-4-{4-[4-chloro-6-(4-sulfo-phenylamino)-[1,3,5]triazin-2-ylamino]-3-sulfo-phenylamino}-9,10-dioxo-9,10-dihydro-anthracene-2-sulfonic acid

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.99
ACD/LogD (pH 5.5): -6.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 332 Å2
Polarizability:
Surface Tension:
Molar Volume:

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