Basic information
- CAS
17289-59-7- Standard SMILES
N#Cc1c(N)ncn1C1OC(CO)C(O)C1O- InChIKey
MXQBBNPWXFSWOC-UHFFFAOYSA-N- Molecular formula
- C9H12N4O4
- Average molar mass
- 240.22 g/mol
- Monoisotopic mass
- 240.08585488
Names & identifiers
- Preferred name
- 4-Amino-1-pentofuranosyl-1h-imidazole-5-carbonitrile
- IUPAC
- 5-amino-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carbonitrile
Names & synonyms
17289-59-74-amino-1-pentofuranosyl-1h-imidazole-5-carbonitrileNSC107507SCHEMBL6674912DTXSID00938233NSC-107507
Database identifiers
- CAS
17289-59-7- PubChem CID
- 267809
- DTXSID
DTXSID00938233
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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