| CAS Number | 131832-93-4 |
| Catalog Number | AG009EV0(AGN-PC-0O10X9) |
| Chemical Name | (2R,3S,4R,5R)-5-ACETAMIDO-2,3,4-TRIHYDROXY-6-OXOHEXYL ACETATE |
| IUPAC Name | [(3S,4R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl acetate |
| InChI | InChI=1S/C10H17NO7/c1-4(12)11-7-9(15)8(14)6(18-10(7)16)3-17-5(2)13/h6-10,14-16H,3H2,1-2H3,(H,11,12)/t6?,7?,8-,9-,10?/m1/s1 |
| InChI Key | BUOUIFKLABWPRZ-CTOGJURTSA-N |
| MDL Number | MFCD28899040 |
| Molecular Formula | C10H17NO7 |
| Molecular Weight | 263.2445 |
| SMILES | CC(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](C=O)NC(C)=O)=O |
| Synonyms | N-Acetyl-D-Glucosamine 6-Acetate,
131832-93-4,
DTXSID20746938,
(N,6-O)-Diacetyl-D-Glucosamine,
2-(Acetylamino)-2-deoxy-D-glucose 6-Acetate,
2-Acetamido-6-O-acetyl-2-deoxy-D-threo-hexopyranose,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.246g/mol |
| Monoisotopic Mass | 263.101g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 125A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number