ChemSpider 2D Image | (2R,2'R,2''R)-2,2',2''-[Benzene-1,3,5-triyltris(carbonylimino)]tripropanoic acid | C18H21N3O9

(2R,2'R,2''R)-2,2',2''-[Benzene-1,3,5-triyltris(carbonylimino)]tripropanoic acid

  • Molecular FormulaC18H21N3O9
  • Average mass423.374 Da
  • Monoisotopic mass423.127777 Da
  • ChemSpider ID29434132

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,2'R,2''R)-2,2',2''-[Benzene-1,3,5-triyltris(carbonylimino)]tripropanoic acid [ACD/IUPAC Name]
(2R,2'R,2''R)-2,2',2''-[Benzol-1,3,5-triyltris(carbonylimino)]tripropansäure [German] [ACD/IUPAC Name]
Acide (2R,2'R,2''R)-2,2',2''-[benzène-1,3,5-triyltris(carbonylimino)]tripropanoïque [French] [ACD/IUPAC Name]
trimesoyltri(d-alanine)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 839.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.8±3.0 kJ/mol
Flash Point: 461.2±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 99.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.64
ACD/LogD (pH 5.5): -6.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 294.5±3.0 cm3

Click to predict properties on the Chemicalize site


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