C23H45NO15Si — CID 101011057
(2R,3R,4R,5R,6R)-5-amino-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 101011057) has the molecular formula C23H45NO15Si and a molecular weight of 603.69 g/mol. Its IUPAC name is (2R,3R,4R,5R,6R)-5-amino-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol.
| Compound Name | (2R,3R,4R,5R,6R)-5-amino-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol |
|---|---|
| PubChem CID | 101011057 |
| Molecular Formula | C23H45NO15Si |
| Molecular Weight | 603.69 g/mol |
| Exact Mass | 603.26 |
| IUPAC Name | (2R,3R,4R,5R,6R)-5-amino-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol |
| SMILES | C[Si](C)(C)CCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3N)C(O)[C@H]2O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C23H45NO15Si/c1-40(2,3)5-4-34-22-17(32)15(30)20(10(7-26)36-22)39-23-18(33)16(31)19(11(8-27)37-23)38-21-12(24)14(29)13(28)9(6-25)35-21/h9-23,25-33H,4-8,24H2,1-3H3/t9-,10-,11-,12-,13+,14-,15-,16?,17-,18-,19+,20-,21-,22-,23+/m1/s1 |
| InChIKey | XWGDZJGWOOAEAJ-YJSWRKASSA-N |
| XLogP | -5.24 |
| TPSA | 263.47 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 40 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 603.69 |
| LogP ≤ 5 | -5.24 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|