Basic information
- Standard SMILES
CCOc1nc(N)nc2c1ncn2[C@H]1C=C[C@@H](CO)C1- InChIKey
ZLKMRESXTDSDID-BDAKNGLRSA-N- Molecular formula
- C13H17N5O2
- Average molar mass
- 275.31 g/mol
Names & identifiers
- Preferred name
- 6-Ethoxy Abacavir
- IUPAC
- [(1S,4R)-4-(2-amino-6-ethoxypurin-9-yl)cyclopent-2-en-1-yl]methanol
Names & synonyms
6-Ethoxy Abacavir2211067-08-0SCHEMBL9211710SCHEMBL23391228SCHEMBL30968763ZLKMRESXTDSDID-BDAKNGLRSA-N(+/-)-cis-4-(2-Amino-6-ethoxy-9H-purin-9-yl)-2-cyclopentene-1-methanol[(1S,4R)-4-(2-amino-6-ethoxy-purin-9-yl)cyclopent-2-en-1-yl]methanol(+/-)-cis-2-Amino-9H-9-(4-hydroxymethyl-2-cyclopentene-1-yl)-6-ethoxypurine
Database identifiers
- PubChem CID
- 468289
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Related reactions
1 records
Compound notes
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