Basic information
- CAS
67971-20-4- Standard SMILES
N#Cc1cn(C2OC(CO)C(O)C2O)c2nc(Cl)nc(N)c12- InChIKey
ZNSOIHRWTPJWBC-UHFFFAOYSA-N- Molecular formula
- C12H12ClN5O4
- Average molar mass
- 325.71 g/mol
- Monoisotopic mass
- 325.0577816
Names & identifiers
- Preferred name
- 2-Chlorotoyocamycin
- IUPAC
- 4-amino-2-chloro-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Names & synonyms
67971-20-42-Chlorotoyocamycin2-chloro-toyocamycinNSC177369DTXSID80306532ZNSOIHRWTPJWBC-UHFFFAOYSA-NNSC-177369DS-0060044-Amino-2-chloro-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-amino-2-chloro-7-.beta.-D-ribofuranosyl-
Database identifiers
- CAS
67971-20-4- PubChem CID
- 301111
- DTXSID
DTXSID80306532
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 476
Related reactions
3 records
Compound notes
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