ChemSpider 2D Image | (E,E)-3,5-di-(4-(2-carboxyethylcarbamoyl)phenylazo)salicylic acid | C27H24N6O9

(E,E)-3,5-di-(4-(2-carboxyethylcarbamoyl)phenylazo)salicylic acid

  • Molecular FormulaC27H24N6O9
  • Average mass576.514 Da
  • Monoisotopic mass576.160461 Da
  • ChemSpider ID29788996

  • Double-bond stereo - Double-bond stereo

More details:

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

(E,E)-3,5-di-(4-(2-carboxyethylcarbamoyl)phenylazo)salicylic acid
1242567-11-8 [RN]
3,5-Bis[(E)-{4-[(2-carboxyethyl)carbamoyl]phenyl}diazenyl]-2-hydroxybenzoesäure [German] [ACD/IUPAC Name]
3,5-Bis[(E)-{4-[(2-carboxyethyl)carbamoyl]phenyl}diazenyl]-2-hydroxybenzoic acid [ACD/IUPAC Name]
3,5-DI-(4-(2-CARBOXYETHYLCARBAMOYL)PHENYLAZO)SALICYLIC ACID, (E,E)-
Acide 3,5-bis[(E)-{4-[(2-carboxyéthyl)carbamoyl]phényl}diazényl]-2-hydroxybenzoïque [French] [ACD/IUPAC Name]
(E,E)-3,5-Di-[4-(2-carboxyethylcarbamoyl)phenylazo]]salicylic acid
3,5-Bis[(1E)-2-[4-[[(2-carboxyethyl)amino]carbonyl]phenyl]diazenyl]-2-hydroxybenzoic acid
3,5-DI-(4-(2-CARBOXYETHYLCARBAMOYL) PHENYLAZO)-SALICYLIC ACID, (E,E)-
3-[(1E)-2-[4-[[(2-carboxyethyl)amino]carbonyl]phenyl]diazenyl] balsalazide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5C0196MV2G [DBID]
UNII:5C0196MV2G [DBID]
UNII-5C0196MV2G [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1025.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.9±3.0 kJ/mol
Flash Point: 573.7±34.3 °C
Index of Refraction: 1.680
Molar Refractivity: 145.3±0.5 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.16
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 240 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 67.4±7.0 dyne/cm
Molar Volume: 384.6±7.0 cm3

Click to predict properties on the Chemicalize site


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