| CAS Number | 132144-93-5 |
| Catalog Number | AG009FAM(AGN-PC-0PJOE6) |
| Chemical Name | D-Glucitol-1-13C |
| IUPAC Name | (2R,3R,4R,5S)-(613C)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/t3-,4+,5+,6+/m0 |
| InChI Key | FBPFZTCFMRRESA-AVUGZHLXSA-N |
| MDL Number | MFCD00084085 |
| Molecular Formula | C6H14O6 |
| Molecular Weight | 183.1644 |
| SMILES | O[13CH2][C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
| Synonyms | D-Glucitol-1-13C,
132144-93-5,
D-Sorbitol-1-13C,
D-(1-~13~C)Glucitol,
((13)C)sorbitol,
D-[1-13C]glucitol,
D-(1-(13)C)glucitol,
D-(1-(13)C)sorbitol,
CHEBI:87978,
DTXSID20746574,
D-Sorbitol-1-13C, 99 atom % 13C,
|
| 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