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Search term: DXFHNEGQVDLRDO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-{(E)-2-[(2S,3R,4S)-5-Carboxy-2-(beta-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-4-yl]vinyl}-1-(2-hydroxyethyl)-3-pyridiniumcarboxylate | C24H29NO12

5-{(E)-2-[(2S,3R,4S)-5-Carboxy-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-4-yl]vinyl}-1-(2-hydroxyethyl)-3-pyridiniumcarboxylate

  • Molecular FormulaC24H29NO12
  • Average mass523.487 Da
  • Monoisotopic mass523.168945 Da
  • ChemSpider ID23340729

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

5-{(E)-2-[(2S,3R,4S)-5-Carboxy-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-4-yl]vinyl}-1-(2-hydroxyethyl)-3-pyridiniumcarboxylat [German] [ACD/IUPAC Name]
5-{(E)-2-[(2S,3R,4S)-5-Carboxy-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-4-yl]vinyl}-1-(2-hydroxyethyl)-3-pyridiniumcarboxylate [ACD/IUPAC Name]
5-{(E)-2-[(2S,3R,4S)-5-Carboxy-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-4-yl]vinyl}-1-(2-hydroxyéthyl)-3-pyridiniumcarboxylate [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2S,3R,4S)-5-carboxy-4-[(E)-2-[5-carboxy-1-(2-hydroxyethyl)-3-pyridiniumyl]ethenyl]-3-ethenyl-3,4-dihydro-2H-pyran-2-yl, inner salt [ACD/Index Name]
5-{(E)-2-[(2S,3R,4S)-5-carboxy-3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-4-yl]ethenyl}-1-(2-hydroxyethyl)pyridinium-3-carboxylate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL515693/
Lonijaposide C

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -6.71
ACD/LogD (pH 5.5): -5.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 210 Å2
Polarizability:
Surface Tension:
Molar Volume:

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