ChemSpider 2D Image | (2Z,4S,5R)-N-{4-[(2,3-Dihydroxybenzoyl)amino]butyl}-N-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(5-hydroxy-6-oxo-2,4-cyclohexadien-1-ylidene)-5-methyl-1,3-oxazolidine-4-carboxamide | C32H36N4O10

(2Z,4S,5R)-N-{4-[(2,3-Dihydroxybenzoyl)amino]butyl}-N-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(5-hydroxy-6-oxo-2,4-cyclohexadien-1-ylidene)-5-methyl-1,3-oxazolidine-4-carboxamide

  • Molecular FormulaC32H36N4O10
  • Average mass636.649 Da
  • Monoisotopic mass636.243164 Da
  • ChemSpider ID4590358

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2Z,4S,5R)-N-{4-[(2,3-Dihydroxybenzoyl)amino]butyl}-N-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(5-hydroxy-6-oxo-2,4-cyclohexadien-1-yliden)-5-methyl-1,3-oxazolidin-4-carboxamid [German] [ACD/IUPAC Name]
(2Z,4S,5R)-N-{4-[(2,3-Dihydroxybenzoyl)amino]butyl}-N-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(5-hydroxy-6-oxo-2,4-cyclohexadien-1-ylidene)-5-methyl-1,3-oxazolidine-4-carboxamide [ACD/IUPAC Name]
(2Z,4S,5R)-N-{4-[(2,3-Dihydroxybenzoyl)amino]butyl}-N-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(5-hydroxy-6-oxo-2,4-cyclohexadién-1-ylidène)-5-méthyl-1,3-oxazolidine-4-carboxamide [French] [ACD/IUPAC Name]
4-Oxazolidinecarboxamide, N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(5-hydroxy-6-oxo-2,4-cyclohexadien-1-ylidene)-5-methyl-, (2Z,4S,5R)- [ACD/Index Name]
4-Oxazolecarboxamide, N-(4-((2,3-dihydroxybenzoyl)amino)butyl)-N-(3-((2,3-dihydroxybenzoyl)amino)propyl)-2-(2,3-dihydroxyphenyl)-4,5-dihydro-5-methyl-, (4S-trans)-
70393-50-9 [RN]
Agrobactin
Ferriagrobactin
N-(3-(2,3-Dihydroxybenzamido)propyl)-N-(4-(2,3- dihydroxybenzamido)butyl)-2-(2,3-dihydroxyphenyl)- trans-5-methyl-oxazoline-4-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 943.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.8±3.0 kJ/mol
Flash Point: 524.1±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 164.4±0.3 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.19
ACD/KOC (pH 5.5): 142.72
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.08
ACD/KOC (pH 7.4): 120.60
Polar Surface Area: 218 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 72.9±3.0 dyne/cm
Molar Volume: 444.0±3.0 cm3

Click to predict properties on the Chemicalize site


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