Basic information
- CAS
53458-20-1- Standard SMILES
CCSCC1OC(n2cnc3c(N)nc(Cl)nc32)C(O)C1O- InChIKey
YFVPJRUKWWGROP-UHFFFAOYSA-N- Molecular formula
- C12H16ClN5O3S
- Average molar mass
- 345.81 g/mol
- Monoisotopic mass
- 345.0662383
Names & identifiers
- Preferred name
- 2-(6-Amino-2-chloropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol
- IUPAC
- 2-(6-amino-2-chloropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol
Names & synonyms
53458-20-1NSC166535DTXSID90304625NSC-1665352-chloro-9-(5-S-ethyl-5-thiopentofuranosyl)-9H-purin-6-amine
Database identifiers
- CAS
53458-20-1- PubChem CID
- 296403
- DTXSID
DTXSID90304625
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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