Found 1 result

Search term: 76827111 (Found by CSID)
ChemSpider 2D Image | labrenzbactin | C32H36N4O10

labrenzbactin

  • Molecular FormulaC32H36N4O10
  • Average mass636.649 Da
  • Monoisotopic mass636.243164 Da
  • ChemSpider ID76827111

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-N-{3-[(2,3-Dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-N-{4-[(2-hydroxy-3-methoxybenzoyl)amino]butyl}-4,5-dihydro-1,3-oxazol-4-carboxamid [German] [ACD/IUPAC Name]
(4S)-N-{3-[(2,3-Dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-N-{4-[(2-hydroxy-3-methoxybenzoyl)amino]butyl}-4,5-dihydro-1,3-oxazole-4-carboxamide [ACD/IUPAC Name]
(4S)-N-{3-[(2,3-Dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphényl)-N-{4-[(2-hydroxy-3-méthoxybenzoyl)amino]butyl}-4,5-dihydro-1,3-oxazole-4-carboxamide [French] [ACD/IUPAC Name]
4-Oxazolecarboxamide, N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2,3-dihydroxyphenyl)-4,5-dihydro-N-[4-[(2-hydroxy-3-methoxybenzoyl)amino]butyl]-, (4S)- [ACD/Index Name]
labrenzbactin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 915.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.7±3.0 kJ/mol
Flash Point: 507.5±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 162.4±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.71
ACD/KOC (pH 5.5): 282.79
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 15.94
ACD/KOC (pH 7.4): 240.99
Polar Surface Area: 210 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 447.7±7.0 cm3

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