ChemSpider 2D Image | N~2~,N~6~-Bis(2,3-dihydroxybenzoyl)-N-{2-[(2,3-dihydroxybenzoyl)amino]ethyl}-D-lysinamide | C29H32N4O10

N2,N6-Bis(2,3-dihydroxybenzoyl)-N-{2-[(2,3-dihydroxybenzoyl)amino]ethyl}-D-lysinamide

  • Molecular FormulaC29H32N4O10
  • Average mass596.585 Da
  • Monoisotopic mass596.211853 Da
  • ChemSpider ID8135867

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[2-[[(2R)-2,6-bis[(2,3-dihydroxybenzoyl)amino]-1-oxohexyl]amino]ethyl]-2,3-dihydroxy- [ACD/Index Name]
N2,N6-Bis(2,3-dihydroxybenzoyl)-N-{2-[(2,3-dihydroxybenzoyl)amino]ethyl}-D-lysinamid [German] [ACD/IUPAC Name]
N2,N6-Bis(2,3-dihydroxybenzoyl)-N-{2-[(2,3-dihydroxybenzoyl)amino]ethyl}-D-lysinamide [ACD/IUPAC Name]
N2,N6-Bis(2,3-dihydroxybenzoyl)-N-{2-[(2,3-dihydroxybenzoyl)amino]éthyl}-D-lysinamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 958.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.3±3.0 kJ/mol
Flash Point: 533.2±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 153.6±0.3 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.11
ACD/KOC (pH 5.5): 276.37
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 14.34
ACD/KOC (pH 7.4): 218.72
Polar Surface Area: 238 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 76.2±3.0 dyne/cm
Molar Volume: 411.7±3.0 cm3

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