ChemSpider 2D Image | N~2~-(2,3-Dihydroxybenzoyl)-N~5~-[N-(2,3-dihydroxybenzoyl)carbamimidoyl]-D-ornithyl-N-[(3S)-1-hydroxy-2-oxo-3-piperidinyl]glycinamide | C27H33N7O10

N2-(2,3-Dihydroxybenzoyl)-N5-[N-(2,3-dihydroxybenzoyl)carbamimidoyl]-D-ornithyl-N-[(3S)-1-hydroxy-2-oxo-3-piperidinyl]glycinamide

  • Molecular FormulaC27H33N7O10
  • Average mass615.592 Da
  • Monoisotopic mass615.228882 Da
  • ChemSpider ID30900652

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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Natural Product Updates

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

Glycinamide, N2-(2,3-dihydroxybenzoyl)-N5-[(E)-[(2,3-dihydroxybenzoyl)amino]iminomethyl]-D-ornithyl-N-[(3S)-1-hydroxy-2-oxo-3-piperidinyl]- [ACD/Index Name]
N2-(2,3-Dihydroxybenzoyl)-N5-[N-(2,3-dihydroxybenzoyl)carbamimidoyl]-D-ornithyl-N-[(3S)-1-hydroxy-2-oxo-3-piperidinyl]glycinamid [German] [ACD/IUPAC Name]
N2-(2,3-Dihydroxybenzoyl)-N5-[N-(2,3-dihydroxybenzoyl)carbamimidoyl]-D-ornithyl-N-[(3S)-1-hydroxy-2-oxo-3-piperidinyl]glycinamide [ACD/IUPAC Name]
N2-(2,3-Dihydroxybenzoyl)-N5-[N-(2,3-dihydroxybenzoyl)carbamimidoyl]-D-ornithyl-N-[(3S)-1-hydroxy-2-oxo-3-pipéridinyl]glycinamide [French] [ACD/IUPAC Name]
heterobactin 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: 1.702
Molar Refractivity: 149.0±0.5 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 0.34
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.39
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.90
Polar Surface Area: 276 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 74.3±7.0 dyne/cm
Molar Volume: 384.6±7.0 cm3

Click to predict properties on the Chemicalize site


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