| CAS Number | 72656-08-7 |
| Catalog Number | AG00FDGX(AGN-PC-0U14E2) |
| Chemical Name | Calcium (2R,3S,4R)-2,3,4,5-tetrahydroxypentanoate |
| IUPAC Name | calcium;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanoate;dihydrate |
| InChI | InChI=1S/2C5H10O6.Ca.2H2O/c2*6-1-2(7)3(8)4(9)5(10)11;;;/h2*2-4,6-9H,1H2,(H,10,11);;2*1H2/q;;+2;;/p-2/t2*2-,3+,4-;;;/m11.../s1 |
| InChI Key | GJVSLGNILTVKHT-OZFZDKMDSA-L |
| MDL Number | MFCD00195687 |
| Molecular Formula | C10H18CaO12 |
| Molecular Weight | 370.3207 |
| SMILES | O[C@H]([C@H]([C@@H](CO)O)O)C([O-])=O.O[C@H]([C@H]([C@@H](CO)O)O)C([O-])=O.[Ca+2] |
| Synonyms | D-Xylonic Acid Calcium Salt Hydrate,
72656-08-7,
D-XYLONIC ACID, CALCIUM SALT, HYDRATE,
D-Xylonic acid,calcium salt,hydrate,
KM1492,
W-203644,
calcium (2R,3S,4R)-2,3,4,5-tetrahydroxypentanoate dihydrate,
D-XYLONICACID,CALCIUMSALT,HYDRATE,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 5 |
| Defined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 406.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 14 |
| Hydrogen Bond Donor Count | 10 |
| Isotope Atom Count | 0 |
| Molecular Weight | 406.35g/mol |
| Monoisotopic Mass | 406.064g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 244A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number