| CAS Number | 69617-74-9 |
| Catalog Number | AG00IBYG(AGN-PC-0TW98J) |
| Chemical Name | Calcium d-galactonate |
| IUPAC Name | calcium;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoate;pentahydrate |
| InChI | InChI=1S/2C6H12O7.Ca.5H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;/h2*2-5,7-11H,1H2,(H,12,13);;5*1H2/q;;+2;;;;;/p-2/t2*2-,3+,4+,5-;;;;;;/m11....../s1 |
| InChI Key | GBYWVMUWGXQZBD-TYCUOJIBSA-L |
| MDL Number | MFCD00150918 |
| Molecular Formula | C12H32CaO19 |
| Molecular Weight | 520.4491 |
| SMILES | O=C([O-])[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[Ca+2] |
| Synonyms | 69617-74-9,
Calcium (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoate pentahydrate,
D-GALACTONIC ACID, CALCIUM SALT,
AKOS015924586,
AKOS016010477,
CALCIUM-D-GALACTONATE PENTAHYDRATE,
AK117286,
AX8119780,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 8 |
| Defined Atom Stereocenter Count | 8 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 520.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 19 |
| Hydrogen Bond Donor Count | 15 |
| Isotope Atom Count | 0 |
| Molecular Weight | 520.447g/mol |
| Monoisotopic Mass | 520.116g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 288A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number