| CAS Number | 1228573-90-7 |
| Catalog Number | AG009E56(AGN-PC-0WH3FE) |
| Chemical Name | Clindamycin 2-Phosphate Sulfoxide(Mixture of Diastereomers) |
| IUPAC Name | [(2R,3R,4S,5R,6R)-6-[(1S,2S)-2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfinyloxan-3-yl] dihydrogen phosphate |
| InChI | InChI=1S/C18H34ClN2O9PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(30-31(25,26)27)18(29-15)32(4)28/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)/t9-,10+,11-,12+,13+,14-,15+,16+,18+,32?/m0/s1 |
| InChI Key | NEQHVQGMXRPASW-IMOWMNBMSA-N |
| MDL Number | MFCD31543901 |
| Molecular Formula | C18H34ClN2O9PS |
| Molecular Weight | 520.9623 |
| SMILES | CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@@H]([C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O)S(=O)C |
| Synonyms | 1228573-90-7,
Clindamycin Phosphate Sulfoxide,
FT-0665100,
[(2R,3R,4S,5R,6R)-6-[(1S,2S)-2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfinyloxan-3-yl] dihydrogen phosphate,
Clindamycin 2-Phosphate Sulfoxide,
NEQHVQGMXRPASW-IMOWMNBMSA-N,
CS-T-51185,
|
| Complexity | 729 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 9 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 520.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 520.959g/mol |
| Monoisotopic Mass | 520.141g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 185A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number