ChemSpider 2D Image | (1Z,2S)-2-Carboxy-1-{(2Z)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-4(1H)-pyridinylidene]ethylidene}-6-hydroxy-2,3-dihydro-1H-indolium-5-yl beta-D-glucopyranoside | C24H27N2O13

(1Z,2S)-2-Carboxy-1-{(2Z)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-4(1H)-pyridinylidene]ethylidene}-6-hydroxy-2,3-dihydro-1H-indolium-5-yl β-D-glucopyranoside

  • Molecular FormulaC24H27N2O13
  • Average mass551.476 Da
  • Monoisotopic mass551.150757 Da
  • ChemSpider ID5034765

  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1Z,2S)-2-Carboxy-1-{(2Z)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-4(1H)-pyridinyliden]ethyliden}-6-hydroxy-2,3-dihydro-1H-indolium-5-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(1Z,2S)-2-Carboxy-1-{(2Z)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-4(1H)-pyridinylidene]ethylidene}-6-hydroxy-2,3-dihydro-1H-indolium-5-yl β-D-glucopyranoside [ACD/IUPAC Name]
β-D-Glucopyranoside de (1Z,2S)-2-carboxy-1-{(2Z)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-4(1H)-pyridinylidène]éthylidène}-6-hydroxy-2,3-dihydro-1H-indolium-5-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1Z,2S)-2-carboxy-1-[(2Z)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-4(1H)-pyridinylidene]ethylidene]-2,3-dihydro-6-hydroxy-1H-indolium-5-yl [ACD/Index Name]

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: 15
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 247 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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