AC1MRFRI
[4,5-diacetyloxy-3-[3,4-diacetyloxy-6-(acetyloxymethyl)-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-[4,5,6-triacetyloxy-2-(acetyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxyoxan-2-yl]methyl acetate
Also Known As: D-Cellopentose Heptadecaacetate|[4,5-diacetyloxy-3-[3,4-diacetyloxy-6-(acetyloxymethyl)-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-[4,5,6-triacetyloxy-2-(acetyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxyoxan-2-yl]methyl acetate
| Molecular Formula | C64H86O43 |
|---|---|
| Molecular Weight | 1542.4542 g/mol |
| LogP | -2.221 |
| Topological Polar Surface Area | 530.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 43 |
| Rotatable Bonds | 30 |
| Exact Mass | 1542.4542 |
| Monoisotopic Mass | 1542.4542 |
| Heavy Atoms | 107 |
| Complexity | 3239.3906 |
Chemical Identifiers
| CAS Number | 83058-38-2 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2OC(=O)C)OC(=O)C)OC3C(OC(C(C3OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC4C(C(C(C(O4)COC(=O)C)OC5C(C(C(C(O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
AC1MRFRI (CAS 83058-38-2), with molecular formula C64H86O43 and molecular weight 1542.4542 g/mol. IUPAC: [4,5-diacetyloxy-3-[3,4-diacetyloxy-6-(acetyloxymethyl)-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-[4,5,6-triacetyloxy-2-(acetyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxyoxan-2-yl]methyl acetate.