Basic information
- Standard SMILES
COC(=O)OCC(CO)CCn1cnc2cnc(N)nc21- InChIKey
RYSKCFZZJWTNPR-UHFFFAOYSA-N- Molecular formula
- C12H17N5O4
- Average molar mass
- 295.29 g/mol
Names & identifiers
- Preferred name
- 2-Amino-9-(3-hydroxymethyl-4-methoxycarbonyloxybut-1-yl)purine
- IUPAC
- [4-(2-aminopurin-9-yl)-2-(hydroxymethyl)butyl] methyl carbonate
Names & synonyms
CHEMBL50718SCHEMBL1874011RYSKCFZZJWTNPR-UHFFFAOYSA-N2-amino-9-(3-hydroxymethyl-4-methoxycarbonyloxybut-1-yl)purine
Database identifiers
- PubChem CID
- 13883192
- ChEMBL
CHEMBL50718- Nikkaji
- J1.006.855J
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 346
Related reactions
2 records
Compound notes
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