ChemSpider 2D Image | 2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID 2-CHLORO-6-FLUORO-BENZYLAMIDE (2-HYDROXY-INDAN-1- YL)-AMIDE | C36H36ClFN2O7

2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID 2-CHLORO-6-FLUORO-BENZYLAMIDE (2-HYDROXY-INDAN-1- YL)-AMIDE

  • Molecular FormulaC36H36ClFN2O7
  • Average mass663.132 Da
  • Monoisotopic mass662.219482 Da
  • ChemSpider ID392744

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,3R,4R,5R)-2,5-Bis(benzyloxy)-N-(2-chlor-6-fluorbenzyl)-3,4-dihydroxy-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexandiamid [German] [ACD/IUPAC Name]
(2R,3R,4R,5R)-2,5-Bis(benzyloxy)-N-(2-chloro-6-fluorobenzyl)-3,4-dihydroxy-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide [ACD/IUPAC Name]
(2R,3R,4R,5R)-2,5-Bis(benzyloxy)-N-(2-chloro-6-fluorobenzyl)-3,4-dihydroxy-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]hexanediamide [French] [ACD/IUPAC Name]
2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID 2-CHLORO-6-FLUORO-BENZYLAMIDE (2-HYDROXY-INDAN-1- YL)-AMIDE
INHIBITOR MSL370
MSC
symmetric/asymmetric inhibitor 6

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

Density: 1.4±0.1 g/cm3
Boiling Point: 947.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.4±3.0 kJ/mol
Flash Point: 526.7±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 174.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 8.42
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 9487.76
ACD/KOC (pH 5.5): 24459.27
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 9487.64
ACD/KOC (pH 7.4): 24458.95
Polar Surface Area: 137 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 68.6±5.0 dyne/cm
Molar Volume: 474.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement