| CAS Number | 70285-70-0 |
| Catalog Number | AG00FICI(AGN-PC-0TXWRQ) |
| Chemical Name | Adenosine 5'-(trihydrogen diphosphate), monopotassium salt |
| EC Number | 274-533-4 |
| IUPAC Name | potassium;(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-olate |
| InChI | InChI=1S/C10H14N5O10P2.K/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;/h2-4,6-7,10,17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);/q-1;+1/t4-,6-,7-,10-;/m1./s1 |
| InChI Key | YGYVXAGQLQDNRF-MCDZGGTQSA-N |
| MDL Number | MFCD00066472 |
| Molecular Formula | C10H14KN5O10P2 |
| Molecular Weight | 465.2915 |
| SMILES | O[C@H]1[C@](O[C@@H]([C@H]1O)COP(OP([O-])(O)=O)(O)=O)([H])N2C3=NC=NC(N)=C3N=C2.[K+] |
| Synonyms | 70285-70-0,
Adenosine 5'-(trihydrogen diphosphate), monopotassium salt,
EINECS 274-533-4,
DTXSID90220518,
Adenosine 5'-(trihydrogen diphosphate),monopotassium salt,
Adenosine5'- ,monopotassiumsalt,
YGYVXAGQLQDNRF-MCDZGGTQSA-N,
C10H15N5O10P2.K,
C10-H15-N5-O10-P2.K,
|
| Complexity | 644 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 464.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 14 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 465.293g/mol |
| Monoisotopic Mass | 464.985g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 235A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number