| CAS Number | 27480-30-4 |
| Catalog Number | AG00C3A2(AGN-PC-0R3B1Q) |
| Chemical Name | Lincomycin 2-phosphate |
| IUPAC Name | [(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-2-methylsulfanyloxan-3-yl] dihydrogen phosphate |
| InChI | InChI=1S/C18H35N2O9PS/c1-5-6-10-7-11(20(3)8-10)17(24)19-12(9(2)21)15-13(22)14(23)16(18(28-15)31-4)29-30(25,26)27/h9-16,18,21-23H,5-8H2,1-4H3,(H,19,24)(H2,25,26,27)/t9-,10-,11+,12-,13-,14+,15-,16-,18-/m1/s1 |
| InChI Key | NVNQOUOFMWKNLY-AVENPWRCSA-N |
| MDL Number | MFCD30486243 |
| Molecular Formula | C18H35N2O9PS |
| Molecular Weight | 486.5173 |
| SMILES | O[C@H]1[C@@H]([C@H](NC([C@H]2C[C@H](CCC)CN2C)=O)[C@H](O)C)O[C@H](SC)C(OP(O)(O)=O)C1O |
| Synonyms | Lincomycin 2-phosphate,
27480-30-4,
A1-03524,
CS-O-10038,
|
| Complexity | 654 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 9 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 486.18g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 486.517g/mol |
| Monoisotopic Mass | 486.18g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 194A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number