| CAS Number | 132202-29-0 |
| Catalog Number | AG009DOZ(AGN-PC-0PJOIU) |
| Chemical Name | D-Mannitol-1-13C |
| IUPAC Name | (2R,3R,4R,5R)-(113C)hexane-1,2,3,4,5,6-hexol |
| InChI | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1/i1+1 |
| InChI Key | FBPFZTCFMRRESA-CCCNNFAYSA-N |
| MDL Number | MFCD00084008 |
| Molecular Formula | C6H14O6 |
| Molecular Weight | 183.1644 |
| SMILES | O[13CH2][C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO |
| Synonyms | D-[1-13C]mannitol,
132202-29-0,
D-Mannitol-1-13C,
D-(1-~13~C)Mannitol,
DTXSID80745801,
D-Mannitol-1-13C,1,1-d2,
D-Mannitol-1-13C, 99 atom % 13C,
D-Mannitol-1 13C,
CS-T-57404,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 1 |
| Molecular Weight | 183.164g/mol |
| Monoisotopic Mass | 183.082g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number