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Callistephin chloride

Molecular FormulaC₂₁H₂₁ClO₁₀
Average mass468.838 Da
Monoisotopic mass468.082336 Da
ChemSpider ID2338454

- 5 of 5 defined stereocentres

More details:

Names and Synonyms
Database ID(s)

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

Callistephin chloride

18466-51-8 [RN]

3-(b-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium Chloride

3-(Glucosyloxy)-4',5,7-trihydroxyflavylium chloride

3-(β-D-glucopyranosyloxy)-4',5,7-trihydroxyflavylium chloride

3-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride

5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}chromenium chloride

5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}chromeniumchlorid [German]

5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl β-D-glucopyranoside chloride [ACD/IUPAC Name]

5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl-β-D-glucopyranosidchlorid [German] [ACD/IUPAC Name]

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5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl-β-D-glucopyranosidechlorid [German]

5,7-Dihydroxy-2-(4-hydroxyphenyl)chromenium-3-yl β-D-glucopyranoside chloride

8H1WZY9R6P

Callistephin [Wiki]

Chlorure de 5,7-dihydroxy-2-(4-hydroxyphényl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}chroménium [French]

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

MFCD00017578

Pelargonidin 3-O-glucoside (chloride)

Pelargonidin 3-O-glucoside chloride

pelargonidin 3-O-β-D-glucoside chloride

Pelargonidin-3-glucoside chloride

Pelargonidin-3-O-glucoside chloride

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

(2S,3R,4S,5S,6R)-2-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-3-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol chloride

(2S,3R,4S,5S,6R)-2-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-3-chromenyliumyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol chloride

(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride

(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol chloride

[18466-51-8] [RN]

1-Benzopyrylium, 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-, chloride

3901091 [Beilstein]

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

atoms 37 bonds 39

Chloride [ACD/IUPAC Name] [Wiki]

PELARGONIDIN 3-GLUCOSIDE CHLORIDE

Pelargonidin-3-glucosidechloride

pelargonidin-3-O-glucoside

UNII:8H1WZY9R6P

UNII-8H1WZY9R6P

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

CHEBI:36122 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Miscellaneous

Chemical Class:

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:
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#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:
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Click to predict properties on the Chemicalize site

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Callistephin chloride

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