ChemSpider 2D Image | (2R,3R,4R,5R)-3,4-Dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis(2-phenylethyl)hexanediamide | C40H44N2O6

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

  • Molecular FormulaC40H44N2O6
  • Average mass648.787 Da
  • Monoisotopic mass648.319946 Da
  • ChemSpider ID395746

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,3R,4R,5R)-3,4-Dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis(2-phenylethyl)hexandiamid [German] [ACD/IUPAC Name]
(2R,3R,4R,5R)-3,4-Dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis(2-phenylethyl)hexanediamide [ACD/IUPAC Name]
(2R,3R,4R,5R)-3,4-Dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]-2,5-bis(2-phényléthyl)hexanediamide [French] [ACD/IUPAC Name]
BLL
Diol-Based HIV-1 protease inhibitor 4

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

Density: 1.3±0.1 g/cm3
Boiling Point: 986.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.7±3.0 kJ/mol
Flash Point: 550.6±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 184.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3139.21
ACD/KOC (pH 5.5): 11082.01
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3139.20
ACD/KOC (pH 7.4): 11081.99
Polar Surface Area: 139 Å2
Polarizability: 73.1±0.5 10-24cm3
Surface Tension: 70.4±5.0 dyne/cm
Molar Volume: 491.0±5.0 cm3

Click to predict properties on the Chemicalize site


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