ChemSpider 2D Image | (2R,3R,4R,5R)-2,5-Bis(benzyloxy)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide | C38H40N2O8

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

  • Molecular FormulaC38H40N2O8
  • Average mass652.733 Da
  • Monoisotopic mass652.278442 Da
  • ChemSpider ID392979

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,3R,4R,5R)-2,5-Bis(benzyloxy)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexandiamid [German] [ACD/IUPAC Name]
(2R,3R,4R,5R)-2,5-Bis(benzyloxy)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide [ACD/IUPAC Name]
(2R,3R,4R,5R)-2,5-Bis(benzyloxy)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]hexanediamide [French] [ACD/IUPAC Name]
BEB
C2-symmetric compound 8
Diol-Based HIV-1 protease inhibitor 1
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL367384/
INHIBITOR BEA369
N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]

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

AIDS060869 [DBID]
AIDS-060869 [DBID]
AIDS060870 [DBID]
AIDS-060870 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 997.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.5±3.0 kJ/mol
Flash Point: 557.3±34.3 °C
Index of Refraction: 1.684
Molar Refractivity: 178.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 8.32
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1864.67
ACD/KOC (pH 5.5): 7632.98
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1864.64
ACD/KOC (pH 7.4): 7632.87
Polar Surface Area: 158 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 470.7±5.0 cm3

Click to predict properties on the Chemicalize site


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