| CAS Number | 14810-93-6 |
| Catalog Number | AG00AE6L(AGN-PC-0Q1BTF) |
| Chemical Name | Methyl 6-amino-6,8-dideoxy-1-thio-D-erythro-α-D-galacto-octopyranoside |
| IUPAC Name | (2R,3R,4S,5R,6R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylsulfanyloxane-3,4,5-triol |
| InChI | InChI=1S/C9H19NO5S/c1-3(11)4(10)8-6(13)5(12)7(14)9(15-8)16-2/h3-9,11-14H,10H2,1-2H3/t3-,4-,5+,6-,7-,8-,9-/m1/s1 |
| InChI Key | AEEIMWYSDWZKAT-HJTGYUAHSA-N |
| MDL Number | MFCD30480890 |
| Molecular Formula | C9H19NO5S |
| Molecular Weight | 253.3159 |
| SMILES | [C@H]([C@@H](C)O)(N)[C@]1(O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O)[H] |
| Synonyms | Methyl 1-thiolincosaminide,
14810-93-6,
Methyl |A-Thiolincosaminide,
SCHEMBL4864190,
DTXSID50624492,
ZINC77303448,
Methyl 6-Amino-6,8-dideoxy-1-thio-D-erythro-|A-D-galacto-octopyranoside,
methyl 6-amino-6,8-dideoxy-1-thio-d-erythro-alpha-d-galacto-octopyranoside,
Methyl 6-amino-6,8-dideoxy-1-thio-D-glycero-alpha-D-galacto-octopyranoside,
D-erythro-.alpha.-D-galacto-Octopyranoside, methyl 6-amino-6,8-dideoxy-1-thio-,
D-erythro-D-galacto-Octopyranoside, methyl 6-amino-6,8-dideoxy-1-thio-, .alpha.-,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 7 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.313g/mol |
| Monoisotopic Mass | 253.098g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 142A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number