Basic information
- CAS
61140-17-8- Standard SMILES
NC(=O)c1cn(C2OC(CO)C(O)C2O)c2nc(N)nc(N)c2c1=O- InChIKey
KYOWULICTCFHHF-UHFFFAOYSA-N- Molecular formula
- C13H16N6O6
- Average molar mass
- 352.3 g/mol
- Monoisotopic mass
- 352.11313225
Names & identifiers
- Preferred name
- 2,4-Diamino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
- IUPAC
- 2,4-diamino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
Names & synonyms
61140-17-8NSC2692202,4-diamino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamideDTXSID40313348NSC-269220Pyrido[2, 2,4-diamino-5,8-dihydro-5-oxo-8-.beta.-D-ribofuranosyl-2,4-Diamino-5-oxo-8-pentofuranosyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
Database identifiers
- CAS
61140-17-8- PubChem CID
- 320720
- DTXSID
DTXSID40313348
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 602
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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