7-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile
Basic information
- CAS
57071-71-3- Standard SMILES
COc1ncnc2c1c(C#N)cn2C1OC(CO)C(O)C1O- InChIKey
XLEAGPSRYCFDSX-UHFFFAOYSA-N- Molecular formula
- C13H14N4O5
- Average molar mass
- 306.27 g/mol
- Monoisotopic mass
- 306.09641956
Names & identifiers
- Preferred name
- 7-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile
- IUPAC
- 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile
Names & synonyms
NSC16364857071-71-3DTXSID60303943NSC-1636487H-Pyrrolo[2, 4-methoxy-7-.beta.-D-ribofuranosyl-4-Methoxy-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Database identifiers
- CAS
57071-71-3- PubChem CID
- 294728
- DTXSID
DTXSID60303943
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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