| CAS Number | 88271-29-8 |
| Catalog Number | AG00GTMC(AGN-PC-0VKD3V) |
| Chemical Name | 2-(D-Gluco-pentylhydroxypentyl)-4(R)-1,3-thiazolidine-4-carboxylic acid |
| IUPAC Name | (4R)-2-[(1R,2S,3R,4R)-1,2,3,4,5-pentahydroxypentyl]-1,3-thiazolidine-4-carboxylic acid |
| InChI | InChI=1S/C9H17NO7S/c11-1-4(12)5(13)6(14)7(15)8-10-3(2-18-8)9(16)17/h3-8,10-15H,1-2H2,(H,16,17)/t3-,4+,5+,6-,7+,8?/m0/s1 |
| InChI Key | JEPVUMTVFPQKQE-DREIXADXSA-N |
| MDL Number | MFCD00186587 |
| Molecular Formula | C9H17NO7S |
| Molecular Weight | 283.2988 |
| SMILES | OC[C@H]([C@H]([C@@H]([C@H](C1SC[C@H](N1)C(=O)O)O)O)O)O |
| Synonyms | 88271-29-8,
2-(D-GLUCO-PENTYLHYDROXYPENTYL)-4(R)-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID,
2-(D-gluco-penthydroxypentyl)-4(R)-1,3-thiazolidine-4-carboxylic acid,
KM2594,
FT-0642082,
C-28354,
W-204003,
(4R)-2-((1R,2S,3R,4R)-1,2,3,4,5-pentahydroxypentyl)thiazolidine-4-carboxylic acid,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.295g/mol |
| Monoisotopic Mass | 283.073g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 176A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -5.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number