ara-A-homocysteine
(2S)-2-amino-4-[[(2S,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
Also Known As: Ara-ahcy|Ara-A-homocysteine|S-adenosylhomocysteine|KST-1A6906|5,6-dihydrobenzo[h]cinnolin-3-ol|S-(5-(9-Arabinofuranosyladenyl))-L-homocysteine|9H-Purin-6-amine, 9-(5-S-(3-amino-3-carboxypropyl)-5-thio-beta-D-arabinofuranosyl)-, (S)-|(2s)-2-amino-4-({[(2s,3s,4s,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid(non-preferred name)|(2S)-2-amino-4-[[(2S,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
| Molecular Formula | C14H20N6O5S |
|---|---|
| Molecular Weight | 384.12158 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.12158 |
| Monoisotopic Mass | 384.12158 |
| Heavy Atoms | 26 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 6337-82-2 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N |
| InChIKey | ZJUKTBDSGOFHSH-HSOHWKKZSA-N |
Product Overview
ara-A-homocysteine (CAS 6337-82-2), with molecular formula C14H20N6O5S and molecular weight 384.12158 g/mol. IUPAC: (2S)-2-amino-4-[[(2S,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid.