| CAS Number | 102029-95-8 |
| Catalog Number | AG0006EN(AGN-PC-00URD7) |
| Chemical Name | 5'-Adenylic acid, anhydride with sulfuric acid, sodium salt (1:1:2) |
| IUPAC Name | [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfo hydrogen phosphate;sodium |
| InChI | InChI=1S/C10H14N5O10PS.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22;/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22); |
| InChI Key | KVGKFGUVHSIJFZ-UHFFFAOYSA-N |
| MDL Number | MFCD00057011 |
| Molecular Formula | C10H14N5Na2O10PS |
| Molecular Weight | 473.2640 |
| SMILES | O[C@H]1[C@@H](O[C@@H]([C@H]1O)COP(OS(=O)(O)=O)(O)=O)N2C3=NC=NC(N)=C3N=C2.[Na].[Na] |
| Synonyms | Adenosine 5'-phosphosulfate sodium salt,
102029-95-8,
SCHEMBL20266318,
CTK8F1005,
DTXSID20585066,
PUBCHEM_16218925,
KS-0000199A,
RT-011198,
FT-0730087,
Adenosine 5'-phosphosulfate sodium salt, >=85%,
J-000548,
Adenosine 5 inverted exclamation marka-phosphosulfate sodium salt,
5'-Adenylic acid, anhydride with sulfuric acid, sodium salt (1:1:2),
Adenosine 5/'-phosphosulfate sodium salt,
APS,
|
| Complexity | 692 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 450.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 14 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 450.271g/mol |
| Monoisotopic Mass | 450.01g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 238A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number