2-[(6-Aminopurin-9-yl)methoxy]but-3-en-1-ol
Basic information
- CAS
136083-19-7- Standard SMILES
C=CC(CO)OCn1cnc2c(N)ncnc21- InChIKey
NIHYKZSIAAAEBZ-UHFFFAOYSA-N- Molecular formula
- C10H13N5O2
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.10692467
Names & identifiers
- Preferred name
- 2-[(6-Aminopurin-9-yl)methoxy]but-3-en-1-ol
- IUPAC
- 2-[(6-aminopurin-9-yl)methoxy]but-3-en-1-ol
Names & synonyms
136083-19-79-(Methoxy-(4-hydroxybuten-3-yl)-adenine3-Buten-1-ol, 2-((6-amino-9H-purin-9-yl)methoxy)-, (1)-2-[(6-aminopurin-9-yl)methoxy]but-3-en-1-ol3-Buten-1-ol, 2-[(6-amino-9H-purin-9-yl)methoxy]-, (1)-DTXSID509292572-[(6-Amino-9H-purin-9-yl)methoxy]but-3-en-1-ol
Database identifiers
- CAS
136083-19-7- PubChem CID
- 452997
- DTXSID
DTXSID50929257
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
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Compound notes
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