| CAS Number | 72696-48-1 |
| Catalog Number | AG005Q4W(AGN-PC-0U14I4) |
| Chemical Name | Adenosine 5'-diphosphate monopotassium salt dihydrate |
| IUPAC Name | potassium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate;dihydrate |
| InChI | InChI=1S/C10H15N5O10P2.K.2H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);;2*1H2/q;+1;;/p-1/t4-,6-,7-,10-;;;/m1.../s1 |
| InChI Key | HFCXEPLDPMALMF-MSQVLRTGSA-M |
| MDL Number | MFCD00150944 |
| Molecular Formula | C10H18KN5O12P2 |
| Molecular Weight | 501.3220 |
| SMILES | O[C@@H]([C@H]([C@H](N2C=NC3=C2N=CN=C3N)O1)O)[C@H]1COP([O-])(OP(O)(O)=O)=O.[H]O[H].[H]O[H].[K+] |
| Synonyms | 72696-48-1,
Adenosine 5'-diphosphate monopotassium salt dihydrate,
MFCD00066472,
Adenosine 5'-diphosphate monopotassium salt,
Adenosine 5'-Diphosphate Potassium Salt,
ADP.K,
MFCD00150944,
AKOS025117259,
adenosine-5'-diphosphate monopotassium salt dihydrate,
potassium ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogendiphosphate dihydrate,
potassium (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-({[hydrogen phosphonatooxy(hydroxy)phosphoryl]oxy}methyl)oxolane-3,4-diol dihydrate,
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| Complexity | 650 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 501.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 16 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 501.323g/mol |
| Monoisotopic Mass | 501.006g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 237A^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-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number