ChemSpider 2D Image | (E)-N~5~-{Amino[(4-chloro-2,3-dihydroxybenzoyl)amino]methylene}-N~2~-(4-chloro-2,3-dihydroxybenzoyl)-D-ornithyl-N~5~-formyl-N~5~-hydroxy-D-ornithine | C26H30Cl2N6O11

(E)-N5-{Amino[(4-chloro-2,3-dihydroxybenzoyl)amino]methylene}-N2-(4-chloro-2,3-dihydroxybenzoyl)-D-ornithyl-N5-formyl-N5-hydroxy-D-ornithine

  • Molecular FormulaC26H30Cl2N6O11
  • Average mass673.456 Da
  • Monoisotopic mass672.134949 Da
  • ChemSpider ID78437000

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(E)-N5-{Amino[(4-chlor-2,3-dihydroxybenzoyl)amino]methylen}-N2-(4-chlor-2,3-dihydroxybenzoyl)-D-ornithyl-N5-formyl-N5-hydroxy-D-ornithin [German] [ACD/IUPAC Name]
(E)-N5-{Amino[(4-chloro-2,3-dihydroxybenzoyl)amino]methylene}-N2-(4-chloro-2,3-dihydroxybenzoyl)-D-ornithyl-N5-formyl-N5-hydroxy-D-ornithine [ACD/IUPAC Name]
(E)-N5-{Amino[(4-chloro-2,3-dihydroxybenzoyl)amino]méthylène}-N2-(4-chloro-2,3-dihydroxybenzoyl)-D-ornithyl-N5-formyl-N5-hydroxy-D-ornithine [French] [ACD/IUPAC Name]
D-Ornithine, (E)-N5-[amino[(4-chloro-2,3-dihydroxybenzoyl)amino]methylene]-N2-(4-chloro-2,3-dihydroxybenzoyl)-D-ornithyl-N5-formyl-N5-hydroxy- [ACD/Index Name]
Chlorocatechelin A

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.678
Molar Refractivity: 153.9±0.5 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 3.67
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.10
ACD/LogD (pH 7.4): -2.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 284 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 72.0±7.0 dyne/cm
Molar Volume: 408.1±7.0 cm3

Click to predict properties on the Chemicalize site


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