ChemSpider 2D Image | N,N-[2,5-O-[DIBENZYL]-GLUCARYL]-DI-[ISOLEUCYL-AMIDO-METHANE] | C34H50N4O8

N,N-[2,5-O-[DIBENZYL]-GLUCARYL]-DI-[ISOLEUCYL-AMIDO-METHANE]

  • Molecular FormulaC34H50N4O8
  • Average mass642.783 Da
  • Monoisotopic mass642.362854 Da
  • ChemSpider ID392978

  • 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[(2S,3S)-3-methyl-1-(methylamino)-1-oxo-2-pentanyl]hexandiamid [German] [ACD/IUPAC Name]
(2R,3R,4R,5R)-2,5-Bis(benzyloxy)-3,4-dihydroxy-N,N'-bis[(2S,3S)-3-methyl-1-(methylamino)-1-oxo-2-pentanyl]hexanediamide [ACD/IUPAC Name]
(2R,3R,4R,5R)-2,5-Bis(benzyloxy)-3,4-dihydroxy-N,N'-bis[(2S,3S)-3-méthyl-1-(méthylamino)-1-oxo-2-pentanyl]hexanediamide [French] [ACD/IUPAC Name]
N,N-[2,5-O-[DIBENZYL]-GLUCARYL]-DI-[ISOLEUCYL-AMIDO-METHANE]
BEI
INHIBITOR BEA322
N1,N6-Di[(1S,2S)-2-methyl-1-(methylcarbamoyl)butyl]-(2R,3R,4R,5R)-2,5-di(benzyloxy)-3,4-dihydroxyhexanediamide

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

AIDS060874 [DBID]
AIDS-060874 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 957.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.1±3.0 kJ/mol
Flash Point: 533.1±34.3 °C
Index of Refraction: 1.547
Molar Refractivity: 173.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 4
ACD/LogP: 7.62
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 114.46
ACD/KOC (pH 5.5): 1034.97
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 114.46
ACD/KOC (pH 7.4): 1034.95
Polar Surface Area: 175 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 547.6±3.0 cm3

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