2-[2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]sulfanyl-1-phenylethanone
Basic information
- CAS
93871-94-4- Standard SMILES
Nc1nc(SCC(=O)c2ccccc2)c2ncn(C3OC(CO)C(O)C3O)c2n1- InChIKey
DNIXAMDGYCWMEV-UHFFFAOYSA-N- Molecular formula
- C18H19N5O5S
- Average molar mass
- 417.4 g/mol
- Monoisotopic mass
- 417.1106899
Names & identifiers
- Preferred name
- 2-[2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]sulfanyl-1-phenylethanone
- IUPAC
- 2-[2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]sulfanyl-1-phenylethanone
Names & synonyms
93871-94-4NSC46390DTXSID50286539NSC-463906-[(2-oxo-2-phenylethyl)sulfanyl]-9-pentofuranosyl-9H-purin-2-amine
Database identifiers
- CAS
93871-94-4- PubChem CID
- 240290
- DTXSID
DTXSID50286539
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 583
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…