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Search term: TWPRREWKQAKFJX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Alexa Fluor 514 para-isomer | C31H27N3O13S2

Alexa Fluor 514 para-isomer

  • Molecular FormulaC31H27N3O13S2
  • Average mass713.688 Da
  • Monoisotopic mass713.098511 Da
  • ChemSpider ID23107062

More details:

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

6-(2-Carboxy-5-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}phenyl)-9-iminio-2,2,4-trimethyl-12-sulfo-1,3,4,9-tetrahydro-2H-chromeno[3,2-g]chinolin-10-sulfonat [German] [ACD/IUPAC Name]
6-(2-Carboxy-5-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}phényl)-9-iminio-2,2,4-triméthyl-12-sulfo-1,3,4,9-tétrahydro-2H-chroméno[3,2-g]quinoléine-10-sulfonate [French] [ACD/IUPAC Name]
6-(2-Carboxy-5-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}phenyl)-9-iminio-2,2,4-trimethyl-12-sulfo-1,3,4,9-tetrahydro-2H-chromeno[3,2-g]quinoline-10-sulfonate [ACD/IUPAC Name]
Alexa Fluor 514 para-isomer
Benzoic acid, 4-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-2-(1,3,4,9-tetrahydro-9-imino-2,2,4-trimethyl-10,12-disulfo-2H-[1]benzopyrano[3,2-g]quinolin-6-yl)- [ACD/Index Name]
6-(2-carboxy-5-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}phenyl)-9-iminio-2,2,4-trimethyl-12-sulfo-1,3,4,9-tetrahydro-2H-chromeno[3,2-g]quinoline-10-sulfonate

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.66
ACD/LogD (pH 5.5): -4.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 276 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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