ChemSpider 2D Image | 3,12,21-Trihydroxy-2,10,14,22-tetraoxo-3,9,15,21-tetraazatricosane-8,12,16-tricarboxylic acid | C22H36N4O13

3,12,21-Trihydroxy-2,10,14,22-tetraoxo-3,9,15,21-tetraazatricosane-8,12,16-tricarboxylic acid

  • Molecular FormulaC22H36N4O13
  • Average mass564.540 Da
  • Monoisotopic mass564.227905 Da
  • ChemSpider ID8113435

More details:

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

3,12,21-Trihydroxy-2,10,14,22-tetraoxo-3,9,15,21-tetraazatricosan-8,12,16-tricarbonsäure [German] [ACD/IUPAC Name]
3,12,21-Trihydroxy-2,10,14,22-tetraoxo-3,9,15,21-tetraazatricosane-8,12,16-tricarboxylic acid [ACD/IUPAC Name]
Acide 3,12,21-trihydroxy-2,10,14,22-tétraoxo-3,9,15,21-tétraazatricosane-8,12,16-tricarboxylique [French] [ACD/IUPAC Name]
26198-65-2 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.571
Molar Refractivity: 127.9±0.3 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -2.95
ACD/LogD (pH 5.5): -8.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 271 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 73.5±3.0 dyne/cm
Molar Volume: 389.5±3.0 cm3

Click to predict properties on the Chemicalize site


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