AC1L4GON
3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol
Also Known As: alpha-L-Mannopyranoside, 3,4-dihydro-4,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl 6-deoxy-|3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol|4,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 6-deoxy-alpha-L-mannopyranoside|4,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 6-deoxyhexopyranoside
| Molecular Formula | C21H24O12 |
|---|---|
| Molecular Weight | 468.12677 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 210.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 468.12677 |
| Monoisotopic Mass | 468.12677 |
| Heavy Atoms | 33 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 76532-04-2 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2C(C3=C(C=C(C=C3OC2C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O)O |
| InChIKey | FSGNSYZESMMQHF-WWNVCBLISA-N |
Product Overview
AC1L4GON (CAS 76532-04-2), with molecular formula C21H24O12 and molecular weight 468.12677 g/mol. IUPAC: 3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol.