7-Pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine-5-carboxamide
Basic information
- CAS
57071-77-9- Standard SMILES
NC(=O)c1cn(C2OC(CO)C(O)C2O)c2ncncc12- InChIKey
ISWPYWMQNIWAID-UHFFFAOYSA-N- Molecular formula
- C12H14N4O5
- Average molar mass
- 294.26 g/mol
- Monoisotopic mass
- 294.09641956
Names & identifiers
- Preferred name
- 7-Pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine-5-carboxamide
- IUPAC
- 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
Names & synonyms
57071-77-97-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine-5-carboxamideNSC140859DTXSID80301062ISWPYWMQNIWAID-UHFFFAOYSA-NNSC-140859
Database identifiers
- CAS
57071-77-9- PubChem CID
- 284702
- DTXSID
DTXSID80301062
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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