| CAS Number | 1331939-77-5 |
| Catalog Number | AG01CBW4(AGN-PC-0WBM77) |
| Chemical Name | L-Ascorbic acid-13C6-1 |
| IUPAC Name | (2R)-2-(1,2-dihydroxy(1,2-13C2)ethyl)-3,4-dihydroxy-(2,3,4,5-13C4)2H-furan-5-one |
| InChI | InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2?,5-/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1 |
| InChI Key | CIWBSHSKHKDKBQ-HFEVONBRSA-N |
| MDL Number | MFCD08459699 |
| Molecular Formula | C6H8O6 |
| Molecular Weight | 182.0800 |
| SMILES | O[13CH2][13CH]([13C@@H]1[13C](O)=[13C]([13C](O1)=O)O)O |
| Synonyms | L-Ascorbic Acid-13C6,
Ascorbajen-13C6,
Allercorb-13C6,
Vitacimin-13C6,
Vitamisin-13C6,
Vitascorbol-13C6,
Cantaxin-13C6,
Laroscorbine-13C6,
Adenex-13C6,
Cantan-13C6,
Davitamon C-13C6,
(+)-Ascorbic Acid-13C6,
CTK8G0507,
3-Oxo-L-gulofuranolactone-13C6,
3-keto-L-Gulofuranolactone-13C6,
1331939-77-5,
100M-13C6,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 6 |
| Molecular Weight | 182.078g/mol |
| Monoisotopic Mass | 182.052g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number