ChemSpider 2D Image | N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE | C39H42N2O5

N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE

  • Molecular FormulaC39H42N2O5
  • Average mass618.761 Da
  • Monoisotopic mass618.309387 Da
  • ChemSpider ID4588040

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,6R)-2,6-Dibenzyl-4-hydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]heptandiamid [German] [ACD/IUPAC Name]
(2R,6R)-2,6-Dibenzyl-4-hydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]heptanediamide [ACD/IUPAC Name]
(2R,6R)-2,6-Dibenzyl-4-hydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]heptanediamide [French] [ACD/IUPAC Name]
Heptanediamide, N1,N7-bis[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-4-hydroxy-2,6-bis(phenylmethyl)-, (2R,6R)- [ACD/Index Name]
N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE
L-700417
VAC [Trade name]

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

AIDS113994 [DBID]
AIDS-113994 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 949.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.8±3.0 kJ/mol
Flash Point: 528.0±34.3 °C
Index of Refraction: 1.670
Molar Refractivity: 178.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5912.27
ACD/KOC (pH 5.5): 17434.66
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5912.26
ACD/KOC (pH 7.4): 17434.66
Polar Surface Area: 119 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 477.2±5.0 cm3

Click to predict properties on the Chemicalize site


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