ChemSpider 2D Image | N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | C34H40N2O9

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

  • Molecular FormulaC34H40N2O9
  • Average mass620.689 Da
  • Monoisotopic mass620.273376 Da
  • ChemSpider ID395745

  • 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-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-[(3S,5S)-5-(hydroxymethyl)tetrahydro-3-furanyl]hexandiamid [German] [ACD/IUPAC Name]
(2R,3R,4R,5R)-2,5-Bis(benzyloxy)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-[(3S,5S)-5-(hydroxymethyl)tetrahydro-3-furanyl]hexanediamide [ACD/IUPAC Name]
(2R,3R,4R,5R)-2,5-Bis(benzyloxy)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]-N'-[(3S,5S)-5-(hydroxyméthyl)tétrahydro-3-furanyl]hexanediamide [French] [ACD/IUPAC Name]
N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]
INHIBITOR BEA369

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

568 [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: 962.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.8±3.0 kJ/mol
Flash Point: 535.7±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 164.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 4
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 131.05
ACD/KOC (pH 5.5): 1140.96
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 131.05
ACD/KOC (pH 7.4): 1140.95
Polar Surface Area: 167 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 71.4±5.0 dyne/cm
Molar Volume: 451.2±5.0 cm3

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