ChemSpider 2D Image | N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | C38H38F2N2O8

N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]

  • Molecular FormulaC38H38F2N2O8
  • Average mass688.714 Da
  • Monoisotopic mass688.259644 Da
  • ChemSpider ID392981

  • 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[(2-fluorbenzyl)oxy]-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[(2-fluorobenzyl)oxy]-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[(2-fluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]hexanediamide [French] [ACD/IUPAC Name]
214139-29-4 [RN]
N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]
N1,N6-Bis[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-2,5-bis-O-[(2-fluorophenyl)methyl]-L-mannaramide
AHI
BED
DESCARBOXY-NOR-N(ω)-HYDROXY-L-ARGININE
INHIBITOR BEA403
More...

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

AIDS113223 [DBID]
AIDS-113223 [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: 1000.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.0±3.0 kJ/mol
Flash Point: 559.1±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 178.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 8.43
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1683.30
ACD/KOC (pH 5.5): 7093.89
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1683.28
ACD/KOC (pH 7.4): 7093.78
Polar Surface Area: 158 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 72.2±5.0 dyne/cm
Molar Volume: 479.4±5.0 cm3

Click to predict properties on the Chemicalize site


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