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Delphinidin-3-Galactoside

CAT: 1410-M39737Size: 1 EachDry Ice: NoHazardous: No
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Description
Delphinidin-3-Galactoside
CAS Number
68852-84-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
———
Molecular Formula
———
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Delphinidin 3-galactoside
CAS Number68852-84-6
PubChem CID176440
IUPAC Name(2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride
Molecular FormulaC21H21ClO12
Molecular Weight500.8
Topological Polar Surface Area202
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity641
SMILES
C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O.[Cl-]
InChI
InChI=1S/C21H20O12.ClH/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7;/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27);1H/t15-,17+,18+,19-,21-;/m1./s1
InChIKey
ZJWIIMLSNZOCBP-KGDMUXNNSA-N
Chemical Structure
2D Structure
2D structure of Delphinidin 3-galactoside
CAS: 68852-84-6
CID: 176440
Formula: C21H21ClO12
MW: 500.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.8
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass500.0721538
Monoisotopic Mass500.0721538
Topological Polar Surface Area202 Ų
Heavy Atom Count34
Formal Charge0
Complexity641
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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HY-N6606RDelphinidin-3-O-galactoside (chloride) (Standard)
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