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Keracyanin chloride

CAT: 1410-M23851-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Keracyanin chloride is an anthocyanin, has antioxidant activity. Keracyanin chloride inhibits malonaldehyde formation in oxidized calf thymus DNA.
CAS Number
18719-76-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
630.99
Molecular Formula
C27H31O15Cl
Notes
Research use only, not for human use.
Receptor
COX

Chemical Information

Keracyanin

Cyanidin 3-O-rutinoside chloride is a member of the class of anthocyanin chlorides that has cyanidin 3-O-rutinoside as the cationic counterpart. It contains a cyanidin 3-O-rutinoside.

CAS Number18719-76-1
PubChem CID29231
IUPAC Name(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol chloride
Molecular FormulaC27H31ClO15
Molecular Weight631.0
Topological Polar Surface Area240
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Heavy Atom Count43
Formal Charge0
Complexity882
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O)O.[Cl-]
InChI
InChI=1S/C27H30O15.ClH/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10;/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31);1H/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+;/m0./s1
InChIKey
ADZHXBNWNZIHIX-XYGAWYNKSA-N
Chemical Structure
2D Structure
2D structure of Keracyanin
CAS: 18719-76-1
CID: 29231
Formula: C27H31ClO15
MW: 631.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight631.0
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Exact Mass630.1351480
Monoisotopic Mass630.1351480
Topological Polar Surface Area240 Ų
Heavy Atom Count43
Formal Charge0
Complexity882
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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