3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-5,7-diol
PubChem CID: 157010086
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 159.0 |
|---|---|
| Hydrogen Bond Donor Count | 6.0 |
| Inchi Key | WNKBGLOGIZOFFU-PBVWOCPUSA-O |
| Rotatable Bond Count | 6.0 |
| Synonyms | Malvidin 3-O-arabinoside |
| Heavy Atom Count | 33.0 |
| Compound Name | 3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-5,7-diol |
| Description | Malvidin 3-arabinoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Malvidin 3-arabinoside can be found in a number of food items such as sweet cherry, lingonberry, red raspberry, and american cranberry, which makes malvidin 3-arabinoside a potential biomarker for the consumption of these food products. |
| Exact Mass | 463.124 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 463.124 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 623.0 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 463.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | 3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-5,7-diol |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C22H22O11/c1-29-14-3-9(4-15(30-2)18(14)26)21-16(32-22-20(28)19(27)17(8-23)33-22)7-11-12(25)5-10(24)6-13(11)31-21/h3-7,17,19-20,22-23,27-28H,8H2,1-2H3,(H2-,24,25,26)/p+1/t17-,19-,20+,22+/m1/s1 |
| Smiles | COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O[C@@H]4[C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C22H23O11+ |
- 1. Outgoing r'ship
FOUND_INto/from Empetrum Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Vaccinium Corymbosum (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Vaccinium Myrtillus (Plant) Rel Props:Source_db:fooddb_chem_all