ChemSpider 2D Image | (2R,3R,5R)-2,5-Bis(benzyloxy)-3-hydroxy-N~6~-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N~1~-[(2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide | C38H40N2O7

(2R,3R,5R)-2,5-Bis(benzyloxy)-3-hydroxy-N6-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N1-[(2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide

  • Molecular FormulaC38H40N2O7
  • Average mass636.733 Da
  • Monoisotopic mass636.283569 Da
  • ChemSpider ID23222893
  • defined stereocentres - 5 of 7 defined stereocentres


More details:






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

(2R,3R,5R)-2,5-Bis(benzyloxy)-3-hydroxy-N6-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N1-[(2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexandiamid [German] [ACD/IUPAC Name]
(2R,3R,5R)-2,5-Bis(benzyloxy)-3-hydroxy-N6-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N1-[(2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide [ACD/IUPAC Name]
(2R,3R,5R)-2,5-Bis(benzyloxy)-3-hydroxy-N6-[(2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]-N1-[(2S)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]hexanediamide [French] [ACD/IUPAC Name]
2,5-Bis-benzyloxy-3-hydroxy-hexanedioic acid bis-[(2-hydroxy-indan-1-yl)-amide]
CHEMBL356895

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±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: 1.672
Molar Refractivity: 177.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 7.40
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 3319.75
ACD/KOC (pH 5.5): 11534.58
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 3319.73
ACD/KOC (pH 7.4): 11534.51
Polar Surface Area: 137 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 70.0±5.0 dyne/cm
Molar Volume: 472.9±5.0 cm3

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