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Malvidin-3-Arabinoside

CAT: 1410-M39772Size: 1 EachDry Ice: NoHazardous: No
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Description
Malvidin-3-Arabinoside
CAS Number
679429-95-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
———
Molecular Formula
———
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Malvidin 3-arabinoside

Malvidin-3-arabinoside is a glycoside and a member of flavonoids.

CAS Number679429-95-9
PubChem CID91810654
IUPAC Name(2S,3R,4S,5S)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxyoxane-3,4,5-triol chloride
Molecular FormulaC22H23ClO11
Molecular Weight498.9
Topological Polar Surface Area159
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity623
SMILES
COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@H](CO4)O)O)O)O)O.[Cl-]
InChI
InChI=1S/C22H22O11.ClH/c1-29-15-3-9(4-16(30-2)19(15)27)21-17(33-22-20(28)18(26)13(25)8-31-22)7-11-12(24)5-10(23)6-14(11)32-21;/h3-7,13,18,20,22,25-26,28H,8H2,1-2H3,(H2-,23,24,27);1H/t13-,18-,20+,22-;/m0./s1
InChIKey
FXWDXPVECLXGRZ-XIGYXKQDSA-N
Chemical Structure
2D Structure
2D structure of Malvidin 3-arabinoside
CAS: 679429-95-9
CID: 91810654
Formula: C22H23ClO11
MW: 498.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight498.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass498.0928892
Monoisotopic Mass498.0928892
Topological Polar Surface Area159 Ų
Heavy Atom Count34
Formal Charge0
Complexity623
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes