ChemSpider 2D Image | (2Z,4S,5R)-N-{3-[(2,3-Dihydroxybenzoyl)amino]propyl}-5-methyl-N-[3-({[(2Z)-5-methyl-2-(6-oxo-2,4-cyclohexadien-1-ylidene)-1,3-oxazolidin-4-yl]carbonyl}amino)propyl]-2-(6-oxo-2,4-cyclohexadien-1-yliden
e)-1,3-oxazolidine-4-carboxamide | C35H39N5O9

(2Z,4S,5R)-N-{3-[(2,3-Dihydroxybenzoyl)amino]propyl}-5-methyl-N-[3-({[(2Z)-5-methyl-2-(6-oxo-2,4-cyclohexadien-1-ylidene)-1,3-oxazolidin-4-yl]carbonyl}amino)propyl]-2-(6-oxo-2,4-cyclohexadien-1-yliden e)-1,3-oxazolidine-4-carboxamide

  • Molecular FormulaC35H39N5O9
  • Average mass673.712 Da
  • Monoisotopic mass673.274780 Da
  • ChemSpider ID4589417
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres


More details:






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

(2Z,4S,5R)-N-{3-[(2,3-Dihydroxybenzoyl)amino]propyl}-5-methyl-N-[3-({[(2Z)-5-methyl-2-(6-oxo-2,4-cyclohexadien-1-yliden)-1,3-oxazolidin-4-yl]carbonyl}amino)propyl]-2-(6-oxo-2,4-cyclohexadien-1-yliden) -1,3-oxazolidin-4-carboxamid [German] [ACD/IUPAC Name]
(2Z,4S,5R)-N-{3-[(2,3-Dihydroxybenzoyl)amino]propyl}-5-methyl-N-[3-({[(2Z)-5-methyl-2-(6-oxo-2,4-cyclohexadien-1-ylidene)-1,3-oxazolidin-4-yl]carbonyl}amino)propyl]-2-(6-oxo-2,4-cyclohexadien-1-yliden e)-1,3-oxazolidine-4-carboxamide [ACD/IUPAC Name]
(2Z,4S,5R)-N-{3-[(2,3-Dihydroxybenzoyl)amino]propyl}-5-méthyl-N-[3-({[(2Z)-5-méthyl-2-(6-oxo-2,4-cyclohexadién-1-ylidène)-1,3-oxazolidin-4-yl]carbonyl}amino)propyl]-2-(6-oxo-2,4-cyclohexadién-1-ylidèn e)-1,3-oxazolidine-4-carboxamide [French] [ACD/IUPAC Name]
4-Oxazolidinecarboxamide, N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-5-methyl-N-[3-[[[(2Z)-5-methyl-2-(6-oxo-2,4-cyclohexadien-1-ylidene)-4-oxazolidinyl]carbonyl]amino]propyl]-2-(6-oxo-2,4-cyclohexadie n-1-ylidene)-, (2Z,4S,5R)- [ACD/Index Name]
156368-88-6 [RN]
4-Oxazolecarboxamide, N-(3-(((4,5-dihydro-2-(2-hydroxyphenyl)-5-methyl-4-oxazolyl)carbonyl)amino)propyl)-N-(3-((2,3-dihydroxybenzoyl)amino)propyl)-4,5-dihydro-2-(2-hydroxyphenyl)-5-methyl-, (4S-(4α(4R*,5S*),5β))-
N-(3-(2,3-Dihydroxybenzamido)propyl)-1,3-bis(2-(2-hydroxyphenyl)-5-methyl-2-oxazoline-4-carboxamido)propane
Vulnibactin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 994.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.1±3.0 kJ/mol
Flash Point: 555.5±34.3 °C
Index of Refraction: 1.628
Molar Refractivity: 175.5±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.39
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.22
ACD/KOC (pH 5.5): 39.99
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.03
ACD/KOC (pH 7.4): 33.99
Polar Surface Area: 196 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 494.2±3.0 cm3

Click to predict properties on the Chemicalize site






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