| CAS Number | 863238-55-5 |
| Catalog Number | AG01EOS7(AGN-PC-0V41K4) |
| Chemical Name | Salicyl-AMS |
| IUPAC Name | [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-(2-hydroxybenzoyl)sulfamate |
| InChI | InChI=1S/C17H18N6O8S/c18-14-11-15(20-6-19-14)23(7-21-11)17-13(26)12(25)10(31-17)5-30-32(28,29)22-16(27)8-3-1-2-4-9(8)24/h1-4,6-7,10,12-13,17,24-26H,5H2,(H,22,27)(H2,18,19,20) |
| InChI Key | SABYITLYKSVAAD-UHFFFAOYSA-N |
| MDL Number | MFCD31619270 |
| Molecular Formula | C17H18N6O8S |
| Molecular Weight | 466.4252 |
| SMILES | O[C@H]1[C@](N2C=3C(N=C2)=C(N)N=CN3)(O[C@H](COS(NC(=O)C4=C(O)C=CC=C4)(=O)=O)[C@H]1O)[H] |
| Synonyms | 863238-55-5,
CHEMBL608844,
BDBM50412379,
Salicyl-AMS,
|
| Complexity | 784 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 466.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 466.425g/mol |
| Monoisotopic Mass | 466.091g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 220A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number