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

  • Molecular FormulaC42H52N6O8
  • Average mass768.898 Da
  • Monoisotopic mass768.384644 Da
  • ChemSpider ID8435087
  • defined stereocentres - 4 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(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(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(3-methyl-1-oxo-1,2-butandiyl)]}biscarbamat [German] [ACD/IUPAC Name]
L-Iditol, 1,2,5,6-tetradeoxy-2,5-bis[[3-methyl-1-oxo-2-[[(2-pyridinylmethoxy)carbonyl]amino]butyl]amino]-1,6-diphenyl- [ACD/Index Name]
(1-{(1S,2R,3R,4S)-1-Benzyl-2,3-dihydroxy-4-[3-methyl-2-(pyridin-2-ylmethoxycarbonylamino)-butyrylamino]-5-phenyl-pentylcarbamoyl}-2-methyl-propyl)-carbamic acid pyridin-2-ylmethyl ester
pyridin-2-ylmethyl [(8S,9R,10R,11S)-8,11-dibenzyl-9,10-dihydroxy-15-methyl-3,6,13-trioxo-5-(propan-2-yl)-1-(pyridin-2-yl)-2-oxa-4,7,12-triazahexadecan-14-yl]carbamate (non-preferred name)

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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