ChemSpider 2D Image | Bis(2-pyridinylmethyl) ([(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenyl-2,5-hexanediyl]bis{imino[(2S)-3-methyl-1-oxo-1,2-butanediyl]})biscarbamate | C42H52N6O8

Bis(2-pyridinylmethyl) ([(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenyl-2,5-hexanediyl]bis{imino[(2S)-3-methyl-1-oxo-1,2-butanediyl]})biscarbamate

  • Molecular FormulaC42H52N6O8
  • Average mass768.898 Da
  • Monoisotopic mass768.384644 Da
  • ChemSpider ID399463

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

([(2S,3R,4R,5S)-3,4-Dihydroxy-1,6-diphényl-2,5-hexanediyl]bis{imino[(2S)-3-méthyl-1-oxo-1,2-butanediyl]})biscarbamate de bis(2-pyridinylméthyle) [French] [ACD/IUPAC Name]
Bis(2-pyridinylmethyl) ([(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenyl-2,5-hexanediyl]bis{imino[(2S)-3-methyl-1-oxo-1,2-butanediyl]})biscarbamate [ACD/IUPAC Name]
Bis(2-pyridinylmethyl)-([(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenyl-2,5-hexandiyl]bis{imino[(2S)-3-methyl-1-oxo-1,2-butandiyl]})biscarbamat [German] [ACD/IUPAC Name]
L-Iditol, 1,2,5,6-tetradeoxy-2,5-bis[[(2S)-3-methyl-1-oxo-2-[[(2-pyridinylmethoxy)carbonyl]amino]butyl]amino]-1,6-diphenyl- [ACD/Index Name]
2,5-(S,S)-Bis(2-pyridylmethoxyvalyl)-1,6-diphenyl-3,4-(R,R)-dihydroxyhexane
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3350059/

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

A-76792 [DBID]
AIDS003503 [DBID]
AIDS-003503 [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: 1024.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.9±3.0 kJ/mol
Flash Point: 573.6±34.3 °C
Index of Refraction: 1.588
Molar Refractivity: 209.6±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 4
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 755.35
ACD/KOC (pH 5.5): 3983.55
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 762.26
ACD/KOC (pH 7.4): 4019.96
Polar Surface Area: 201 Å2
Polarizability: 83.1±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 622.4±3.0 cm3

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