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Cyanidin3-Rhamnoside

CAT: 1410-M39721Size: 1 EachDry Ice: NoHazardous: No
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Description
Cyanidin3-Rhamnoside
CAS Number
38533-30-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
———
Molecular Formula
———
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Cyanidin 3-rhamnoside

See also: Cyanidin 3-rhamnoside (annotation moved to).

CAS Number38533-30-1
PubChem CID102601165
IUPAC Name(2S,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-methyloxane-3,4,5-triol chloride
Molecular FormulaC21H21ClO10
Molecular Weight468.8
Topological Polar Surface Area161
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity607
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C=C4)O)O)O)O)O)O)O.[Cl-]
InChI
InChI=1S/C21H20O10.ClH/c1-8-17(26)18(27)19(28)21(29-8)31-16-7-11-13(24)5-10(22)6-15(11)30-20(16)9-2-3-12(23)14(25)4-9;/h2-8,17-19,21,26-28H,1H3,(H3-,22,23,24,25);1H/t8-,17-,18+,19+,21-;/m0./s1
InChIKey
YZZWDYRLDSHCLB-BMFPEYJSSA-N
Chemical Structure
2D Structure
2D structure of Cyanidin 3-rhamnoside
CAS: 38533-30-1
CID: 102601165
Formula: C21H21ClO10
MW: 468.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.8
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass468.0823246
Monoisotopic Mass468.0823246
Topological Polar Surface Area161 Ų
Heavy Atom Count32
Formal Charge0
Complexity607
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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