ChemSpider 2D Image | amaranthin | C30H34N2O19

amaranthin

  • Molecular FormulaC30H34N2O19
  • Average mass726.593 Da
  • Monoisotopic mass726.175598 Da
  • ChemSpider ID30791231

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1E,2S)-1-{(2E)-2-[(2S)-2,6-Dicarboxy-2,3-dihydro-4(1H)-pyridinyliden]ethyliden}-5-{[2-O-(β-D-glucopyranuronosyl)-β-D-glucopyranosyl]oxy}-6-hydroxy-2,3-dihydro-1H-indolium-2-carboxylat [German] [ACD/IUPAC Name]
(1E,2S)-1-{(2E)-2-[(2S)-2,6-Dicarboxy-2,3-dihydro-4(1H)-pyridinylidene]ethylidene}-5-{[2-O-(β-D-glucopyranuronosyl)-β-D-glucopyranosyl]oxy}-6-hydroxy-2,3-dihydro-1H-indolium-2-carboxylate [ACD/IUPAC Name]
(1E,2S)-1-{(2E)-2-[(2S)-2,6-Dicarboxy-2,3-dihydro-4(1H)-pyridinylidène]éthylidène}-5-{[2-O-(β-D-glucopyranuronosyl)-β-D-glucopyranosyl]oxy}-6-hydroxy-2,3-dihydro-1H-indolium-2-carboxylate [French] [ACD/IUPAC Name]
amaranthin
L-Prolyl-L-leucine [ACD/IUPAC Name]
β-D-Glucopyranoside, (1E,2S)-2-carboxy-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-4(1H)-pyridinylidene]ethylidene]-2,3-dihydro-6-hydroxy-1H-indolium-5-yl 2-O-β-D-glucopyranuronosyl-, inner salt [ACD/Index Name]
(1E,2S)-1-{(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydropyridin-4(1H)-ylidene]ethylidene}-5-[(β-D-glucopyranosyluronic acid)-(1->2)-β-D-glucopyranosyloxy]-6-hydroxy-2,3-dihydro-1H-indolium-2-carboxylat
(1E,2S)-1-{(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydropyridin-4(1H)-ylidene]ethylidene}-5-[(β-D-glucopyranosyluronic acid)-(1->2)-β-D-glucopyranosyloxy]-6-hydroxy-2,3-dihydro-1H-indolium-2-carboxylate
15167-84-7 [RN]
Amaranthin βcyanin
More...
  • Miscellaneous

    • Chemical Class:

      A disaccharide derivative that is betanidin in which a <stereo>beta</stereo>-<stereo>D</stereo>-glucuronosyl-(1<arrow>right</arrow>2)-<stereo>beta</stereo>-<stereo>D</stereo>-glucosyl moiety is attach ed at position 5. ChEBI CHEBI:2621
      A disaccharide derivative that is betanidin in which a beta-D-glucuronosyl-(1->2)-beta-D-glucosyl moiety is attached at position 5. ChEBI CHEBI:2621
      A disaccharide derivative that is betanidin in which a beta-D-glucuronosyl-(1right2)-beta-D-glucosyl moiety is attach; ed at position 5. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:2621

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: 21
#H bond donors: 12
#Freely Rotating Bonds: 10
#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: 346 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement