Riboflavin
Representations & DB's id
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| ChEBI: | CHEBI:17015 | |
|---|---|---|
| ChEMBL: | CHEMBL1534 | |
| PubChem: | 493570 | |
| IUPAC: | 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione | |
| Standard InChI: | InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1 | |
| Standard InChI Key: | AUNGANRZJHBGPY-SCRDCRAPSA-N | |
| SMILES: | OC[C@H]([C@H]([C@H](Cn1c2cc(C)c(cc2nc2c1nc(=O)nc2O)C)O)O)O | |
Molecular propeties
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| AlogP: | -1.72 | |
|---|---|---|
| Hydrogen bonds acceptors: | 9 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 3 | |
| Molecular Weight: | 376.14 | |
| Topological polar surface area: | 155 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.412 | |
| Number of carbons: | 17 | |