ChemSpider 2D Image | 1-{(2E)-2-[(4-Aminobenzoyl)imino]-1-hydroxyethyl}-N-[(1Z)-1-hydroxy-1-{(E)-[1-hydroxy-1-(hydroxyamino)-2-propanylidene]amino}-4-methyl-1-penten-2-yl]prolinamide | C23H34N6O6

1-{(2E)-2-[(4-Aminobenzoyl)imino]-1-hydroxyethyl}-N-[(1Z)-1-hydroxy-1-{(E)-[1-hydroxy-1-(hydroxyamino)-2-propanylidene]amino}-4-methyl-1-penten-2-yl]prolinamide

  • Molecular FormulaC23H34N6O6
  • Average mass490.553 Da
  • Monoisotopic mass490.253998 Da
  • ChemSpider ID95637954

  • Double-bond stereo - Double-bond stereo

More details:

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

1-{(2E)-2-[(4-Aminobenzoyl)imino]-1-hydroxyethyl}-N-[(1Z)-1-hydroxy-1-{(E)-[1-hydroxy-1-(hydroxyamino)-2-propanyliden]amino}-4-methyl-1-penten-2-yl]prolinamid [German] [ACD/IUPAC Name]
1-{(2E)-2-[(4-Aminobenzoyl)imino]-1-hydroxyethyl}-N-[(1Z)-1-hydroxy-1-{(E)-[1-hydroxy-1-(hydroxyamino)-2-propanylidene]amino}-4-methyl-1-penten-2-yl]prolinamide [ACD/IUPAC Name]
1-{(2E)-2-[(4-Aminobenzoyl)imino]-1-hydroxyéthyl}-N-[(1Z)-1-hydroxy-1-{(E)-[1-hydroxy-1-(hydroxyamino)-2-propanylidène]amino}-4-méthyl-1-pentén-2-yl]prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[(2E)-2-[(4-aminobenzoyl)imino]-1-hydroxyethyl]-N-[(1Z)-1-[hydroxy[[(1E)-2-hydroxy-2-(hydroxyamino)-1-methylethylidene]amino]methylene]-3-methylbutyl]- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 126.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.69
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.19
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 193 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 352.9±7.0 cm3

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