| CAS Number | 28708-34-1 |
| Catalog Number | AG002W79(AGN-PC-0R4FZ8) |
| Chemical Name | L-threo-α-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, 3-(dihydrogen phosphate), (2S-trans)- |
| IUPAC Name | [(2R,3S,4S,5R,6R)-2-[(1S,2R)-2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-3,5-dihydroxy-6-methylsulfanyloxan-4-yl] dihydrogen phosphate |
| InChI | InChI=1S/C18H34ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)16(29-30(25,26)27)14(23)18(28-15)31-4/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-/m1/s1 |
| InChI Key | ZMGZEXFHZBYORP-SUXZLHENSA-N |
| MDL Number | MFCD21363518 |
| Molecular Formula | C18H34ClN2O8PS |
| Molecular Weight | 504.9629 |
| SMILES | CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)OP(=O)(O)O)O)C(C)Cl |
| Synonyms | 28708-34-1,
Clindamycin 3-PhosphateDISCONTINUED,
DTXSID00747362,
PUBCHEM_71314905,
ZINC77285980,
FT-0665098,
(2S-trans)-7-Chloro-6,7,8-trideoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-L-threo-|A-D-galactooctopyranoside Methyl 3-(Dihydrogen Phosphate),
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| Complexity | 658 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 9 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 504.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 504.96g/mol |
| Monoisotopic Mass | 504.146g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 174A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number