Dihydroacarbose
5-[5-[3,4-dihydroxy-6-methyl-5-[[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
Also Known As: Dihydroacarbose|DIHYDRO-ACARBOSE|4,6-Dideoxy-4-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranose|5-[5-[3,4-dihydroxy-6-methyl-5-[[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
| Molecular Formula | C25H45NO18 |
|---|---|
| Molecular Weight | 647.2637 g/mol |
| LogP | -7.7 |
| Topological Polar Surface Area | 321.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 647.2637 |
| Monoisotopic Mass | 647.2637 |
| Heavy Atoms | 44 |
| Complexity | 907.0 |
Chemical Identifiers
| CAS Number | 85382-75-8 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)NC4CC(C(C(C4O)O)O)CO |
| InChIKey | CUAQESWNTOXZJZ-UHFFFAOYSA-N |
Product Overview
Dihydroacarbose (CAS 85382-75-8), with molecular formula C25H45NO18 and molecular weight 647.2637 g/mol. IUPAC: 5-[5-[3,4-dihydroxy-6-methyl-5-[[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol.