Ateganosine monohydrate
Basic information
- CAS
64039-27-6- Standard SMILES
Nc1nc(=S)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2[nH]1.O- InChIKey
RAKKINBKYJWQIG-FPKZOZHISA-N- Molecular formula
- C10H15N5O4S
- Average molar mass
- 301.32 g/mol
- Monoisotopic mass
- 301.08447515
Overview
See also: Beta-dioxythioguanosine (annotation moved to).
Names & identifiers
- Preferred name
- Ateganosine monohydrate
- IUPAC
- 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione;hydrate
Names & synonyms
Guanosine, 2'-deoxy-6-thio-, monohydrateY59HJ22CIAAteganosine monohydrate2'-Deoxythioguanosine monohydrate9H-Purine-6-thiol, 2-amino-9-(2-deoxy-beta-D-ribofuranosyl)-, hydrateRefChem:107732864039-27-62'-Deoxy-6-thioguanosine monohydratebeta-TGdR monohydratebeta-Deoxythioguanosine monohydratebeta-Thioguanine deoxyriboside monohydratebeta-Dioxythioguanosine monohydrate
Show more names
UNII-Y59HJ22CIADTXSID6074881.beta.-Dioxythioguanosine monohydrate9H-Purine-6-thiol, 2-amino-9-(2-deoxy-beta-D-erytho-pentofuranosyl)-, monohydrate2-AMINO-9-(2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-6-MERCAPTOPURINE MONOHYDRATE2-Amino-9-(2-deoxy-beta-D-erythro-pentofuranosyl)-3,9-dihydro-6H-purine-6-thione--water (1/1)
Database identifiers
- CAS
64039-27-6- PubChem CID
- 3048840
- DTXSID
DTXSID6074881- UNII
- Y59HJ22CIA
Properties
Computed structural properties
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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