Basic information
- CAS
6267-42-1- Standard SMILES
Cn1ncc2c(=N)n(CC(O)C(O)C(O)C(O)CO)cnc21- InChIKey
DFOJLUJCIYDUGJ-UHFFFAOYSA-N- Molecular formula
- C12H19N5O5
- Average molar mass
- 313.31 g/mol
- Monoisotopic mass
- 313.13861872
Names & identifiers
- Preferred name
- 6-(4-Imino-1-methylpyrazolo[3,4-d]pyrimidin-5-yl)hexane-1,2,3,4,5-pentol
- IUPAC
- 6-(4-imino-1-methylpyrazolo[5,4-d]pyrimidin-5-yl)hexane-1,2,3,4,5-pentol
Names & synonyms
6267-42-1NSC345196-(4-imino-1-methylpyrazolo[3,4-d]pyrimidin-5-yl)hexane-1,2,3,4,5-pentolDTXSID70328526NSC-345191-Deoxy-1-(4-imino-1-methyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)hexitol
Database identifiers
- CAS
6267-42-1- PubChem CID
- 411392
- DTXSID
DTXSID70328526
Properties
Computed structural properties
- XLogP
- -3.5
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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