| CAS Number | 301351-95-1 |
| Catalog Number | AG01EOH2(AGN-PC-3H46DG) |
| Chemical Name | Arg-AMS |
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]sulfamate |
| InChI | InChI=1S/C16H26N10O7S/c17-7(2-1-3-21-16(19)20)14(29)25-34(30,31)32-4-8-10(27)11(28)15(33-8)26-6-24-9-12(18)22-5-23-13(9)26/h5-8,10-11,15,27-28H,1-4,17H2,(H,25,29)(H2,18,22,23)(H4,19,20,21)/t7-,8+,10+,11+,15+/m0/s1 |
| InChI Key | BPKLMCNLHSJSEL-JVEUSOJLSA-N |
| MDL Number | MFCD31746901 |
| Molecular Formula | C16H26N10O7S |
| Molecular Weight | 502.5054 |
| SMILES | C([C@H]1O[C@@H](N2C=NC3C2=NC=NC=3N)[C@@H](O)C1O)OS(=O)(NC(=O)[C@@H](N)CCCNC(N)=N)=O |
| Synonyms | Arg-AMS,
301351-95-1,
CHEMBL1160244,
5'-O-(L-Arginylsulfamoyl)adenosine,
HY-112862,
CS-0067154,
CID9983529,
CID 9983529,
|
| Complexity | 839 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 502.171g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 13 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 502.507g/mol |
| Monoisotopic Mass | 502.171g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 291A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number