2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 2-O-β-D-glucopyranosyl-D-glucopyranoside chloride

Molecular FormulaC₂₇H₃₁ClO₁₆
Average mass646.978 Da
Monoisotopic mass646.130066 Da
ChemSpider ID58807045

- 9 of 10 defined stereocentres

More details:

Names and Synonyms

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

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 2-O-β-D-glucopyranosyl-D-glucopyranoside chloride [ACD/IUPAC Name]

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl-2-O-β-D-glucopyranosyl-D-glucopyranosidchlorid [German] [ACD/IUPAC Name]

Chlorure de 2-O-β-D-glucopyranosyl-D-glucopyranoside de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-3-chroméniumyle [French] [ACD/IUPAC Name]

D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl 2-O-β-D-glucopyranosyl-, chloride (1:1) [ACD/Index Name]

18376-31-3 [RN]

3-(((3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium chloride

Cyanidin 3-O-??-sophoroside chloride

Predicted - ACD/Labs
Predicted - ChemAxon

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

No predicted properties have been calculated for this compound.

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#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:
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 2-O-β-D-glucopyranosyl-D-glucopyranoside chloride

More details:

Search ChemSpider:

Search Google: