ChemSpider 2D Image | 2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID BENZYLAMIDE (2-HYDROXY-INDAN-1-YL)-AMIDE | C36H38N2O7

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

  • Molecular FormulaC36H38N2O7
  • Average mass610.696 Da
  • Monoisotopic mass610.267883 Da
  • ChemSpider ID392742

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,3R,4R,5R)-N-Benzyl-2,5-bis(benzyloxy)-3,4-dihydroxy-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexandiamid [German] [ACD/IUPAC Name]
(2R,3R,4R,5R)-N-Benzyl-2,5-bis(benzyloxy)-3,4-dihydroxy-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide [ACD/IUPAC Name]
(2R,3R,4R,5R)-N-Benzyl-2,5-bis(benzyloxy)-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 BENZYLAMIDE (2-HYDROXY-INDAN-1-YL)-AMIDE
(2R,3R,4R,5R)-N'-((1S,2R)-2-Hydroxyindanyl)-2,5-bis(phenylmethoxy)-3,4-dihydroxy-N-benzylhexane-1,6-diamide
BeH [Formula]
INHIBITOR BEA435
symmetric/asymmetric inhibitor 5

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

AIDS109287 [DBID]
AIDS-109287 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 928.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.5±3.0 kJ/mol
Flash Point: 515.5±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 169.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 8.21
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1386.85
ACD/KOC (pH 5.5): 6175.37
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1386.83
ACD/KOC (pH 7.4): 6175.30
Polar Surface Area: 137 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 459.5±5.0 cm3

Click to predict properties on the Chemicalize site


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