ChemSpider 2D Image | N~5~-(Diaminomethylene)-N~2~-(2,3-dihydroxybenzoyl)-D-ornithyl-N~5~-[(2,3-dihydroxybenzoyl)oxy]-N~5~-formyl-D-ornithine | C26H32N6O11

N5-(Diaminomethylene)-N2-(2,3-dihydroxybenzoyl)-D-ornithyl-N5-[(2,3-dihydroxybenzoyl)oxy]-N5-formyl-D-ornithine

  • Molecular FormulaC26H32N6O11
  • Average mass604.566 Da
  • Monoisotopic mass604.212891 Da
  • ChemSpider ID78440503
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

D-Ornithine, N5-(diaminomethylene)-N2-(2,3-dihydroxybenzoyl)-D-ornithyl-N5-[(2,3-dihydroxybenzoyl)oxy]-N5-formyl- [ACD/Index Name]
N5-(Diaminomethylen)-N2-(2,3-dihydroxybenzoyl)-D-ornithyl-N5-[(2,3-dihydroxybenzoyl)oxy]-N5-formyl-D-ornithin [German] [ACD/IUPAC Name]
N5-(Diaminomethylene)-N2-(2,3-dihydroxybenzoyl)-D-ornithyl-N5-[(2,3-dihydroxybenzoyl)oxy]-N5-formyl-D-ornithine [ACD/IUPAC Name]
N5-(Diaminométhylène)-N2-(2,3-dihydroxybenzoyl)-D-ornithyl-N5-[(2,3-dihydroxybenzoyl)oxy]-N5-formyl-D-ornithine [French] [ACD/IUPAC Name]
Mirubactin

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 144.1±0.5 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 1.82
ACD/LogD (pH 5.5): -1.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 287 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 70.3±7.0 dyne/cm
Molar Volume: 390.9±7.0 cm3

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