ChemSpider 2D Image | (2R,4S,5R)-N,N-Bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-1,3-oxazolidine-4-carboxamide | C31H36N4O10

(2R,4S,5R)-N,N-Bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-1,3-oxazolidine-4-carboxamide

  • Molecular FormulaC31H36N4O10
  • Average mass624.638 Da
  • Monoisotopic mass624.243164 Da
  • ChemSpider ID61712134

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,4S,5R)-N,N-Bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-1,3-oxazolidin-4-carboxamid [German] [ACD/IUPAC Name]
(2R,4S,5R)-N,N-Bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-1,3-oxazolidine-4-carboxamide [ACD/IUPAC Name]
(2R,4S,5R)-N,N-Bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphényl)-5-méthyl-1,3-oxazolidine-4-carboxamide [French] [ACD/IUPAC Name]
4-Oxazolidinecarboxamide, N,N-bis[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2,3-dihydroxyphenyl)-5-methyl-, (2R,4S,5R)- [ACD/Index Name]
(4S,5R)-N,N-Bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide [ACD/IUPAC Name]
1OD

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

Density: 1.4±0.1 g/cm3
Boiling Point: 880.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.3±3.0 kJ/mol
Flash Point: 486.0±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 161.7±0.3 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.44
ACD/KOC (pH 5.5): 27.26
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 6.76
ACD/KOC (pH 7.4): 128.32
Polar Surface Area: 221 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 69.8±3.0 dyne/cm
Molar Volume: 441.1±3.0 cm3

Click to predict properties on the Chemicalize site


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