ChemSpider 2D Image | (2R,3R,4R,5R)-2,5-Bis[(2,3-difluorobenzyl)oxy]-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide | C38H36F4N2O8

(2R,3R,4R,5R)-2,5-Bis[(2,3-difluorobenzyl)oxy]-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide

  • Molecular FormulaC38H36F4N2O8
  • Average mass724.695 Da
  • Monoisotopic mass724.240784 Da
  • ChemSpider ID23190423

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(2R,3R,4R,5R)-2,5-Bis[(2,3-difluorbenzyl)oxy]-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexandiamid [German] [ACD/IUPAC Name]
(2R,3R,4R,5R)-2,5-Bis[(2,3-difluorobenzyl)oxy]-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide [ACD/IUPAC Name]
(2R,3R,4R,5R)-2,5-Bis[(2,3-difluorobenzyl)oxy]-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]-N'-[(2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]hexanediamide [French] [ACD/IUPAC Name]
2,5-Bis-(2,3-difluoro-benzyloxy)-3,4-dihydroxy-hexanedioic acid bis-[(2-hydroxy-indan-1-yl)-amide]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL319704/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1003.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.5±3.0 kJ/mol
Flash Point: 560.9±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 179.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 8.35
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2597.28
ACD/KOC (pH 5.5): 9676.28
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2597.24
ACD/KOC (pH 7.4): 9676.11
Polar Surface Area: 158 Å2
Polarizability: 71.0±0.5 10-24cm3
Surface Tension: 70.1±5.0 dyne/cm
Molar Volume: 488.0±5.0 cm3

Click to predict properties on the Chemicalize site


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