| CAS Number | 28148-89-2 |
| Catalog Number | AG00C4G8(AGN-PC-0R3P2H) |
| Chemical Name | Peonidin 3-O-b-galactopyranoside chloride |
| IUPAC Name | (2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride |
| InChI | InChI=1S/C22H22O11.ClH/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22;/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26);1H/t17-,18+,19+,20-,22-;/m1./s1 |
| InChI Key | VDTNZDSOEFSAIZ-HVOKISQTSA-N |
| MDL Number | MFCD16036230 |
| Molecular Formula | C22H23ClO11 |
| Molecular Weight | 498.8644 |
| SMILES | O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(OC)=C(O)C=C3)[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O.[Cl-] |
| UNII | 595285F29O |
| Synonyms | Peonidin-3-o-galactoside chloride,
UNII-595285F29O,
595285F29O,
28148-89-2,
Peonidin galactoside,
Peonidin-3-o-galactoside,
Peonidin 3-o-beta-D-galactoside,
Peonidin 3-O-b-galactopyranoside chloride,
Peonidin 3-o-beta-D-galactopyranoside,
AKOS030573635,
1-Benzopyrylium, 3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-, chloride (1:1),
UNII-R911H793SU component VDTNZDSOEFSAIZ-HVOKISQTSA-N,
PEONIDIN 3-GALACTOSIDE,
Peonidin 3-O-galactoside chloride,
|
| Complexity | 638 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 498.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 498.865g/mol |
| Monoisotopic Mass | 498.093g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 170A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number