Basic information
- CAS
58145-33-8- Standard SMILES
Nc1ncnc2c1ncn2CC(O)CCl- InChIKey
FOXCYGKWJDKTIT-UHFFFAOYSA-N- Molecular formula
- C8H10ClN5O
- Average molar mass
- 227.65 g/mol
- Monoisotopic mass
- 227.0573877
Names & identifiers
- Preferred name
- 1-(6-Amino-9H-purin-9-yl)-3-chloropropan-2-ol
- IUPAC
- 1-(6-aminopurin-9-yl)-3-chloropropan-2-ol
Names & synonyms
58145-33-8NSC3617531-(6-Amino-9H-purin-9-yl)-3-chloropropan-2-olDTXSID40320597NSC-361753
Database identifiers
- CAS
58145-33-8- PubChem CID
- 338598
- DTXSID
DTXSID40320597
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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