Basic information
- CAS
16754-81-7- Standard SMILES
COc1ncnc2c1ccn2C1OC(CO)C(O)C1O- InChIKey
YSHDAMLQPKTCBM-UHFFFAOYSA-N- Molecular formula
- C12H15N3O5
- Average molar mass
- 281.26 g/mol
- Monoisotopic mass
- 281.10117059
Names & identifiers
- Preferred name
- 4-Methoxy-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine
- IUPAC
- 2-(hydroxymethyl)-5-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
Names & synonyms
16754-81-7NSC1011604-methoxy-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidineNCIOpen2_006772DTXSID40937346NSC-101160
Database identifiers
- CAS
16754-81-7- PubChem CID
- 265293
- DTXSID
DTXSID40937346
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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