| CAS Number | 1071625-31-4 |
| Catalog Number | AG01FE1H(AGN-PC-3H4A0M) |
| Chemical Name | N-((2R,3S,4R,5S,6R)-2,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamide hydrate |
| IUPAC Name | N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrate |
| InChI | InChI=1S/C8H15NO6.H2O/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14;/h4-8,10,12-14H,2H2,1H3,(H,9,11);1H2/t4-,5+,6-,7-,8?;/m1./s1 |
| InChI Key | VVQPUTSNIMAJPT-YTMKKKKMSA-N |
| MDL Number | MFCD00149493 |
| Molecular Formula | C8H17NO7 |
| Molecular Weight | 239.2231 |
| SMILES | O.N(C(=O)C)[C@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1O)CO |
| Synonyms | 1071625-31-4,
14131-64-7,
BIA1221,
ZX-AFC001018,
AKOS015911199,
I14-38461,
N-Acetyl-D-MannosaMine Monohydrate,
N-acetyl-D-mannosamine,
C8H17NO7,
MFCD00149493,
7772-94-3,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.224g/mol |
| Monoisotopic Mass | 239.101g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number