1-Pentofuranosyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
Basic information
- CAS
3258-05-7- Standard SMILES
Nc1ncnc2c1cnn2C1OC(CO)C(O)C1O- InChIKey
BIGZBYVPTZEYRU-UHFFFAOYSA-N- Molecular formula
- C10H13N5O4
- Average molar mass
- 267.24 g/mol
- Monoisotopic mass
- 267.09675391
Names & identifiers
- Preferred name
- 1-Pentofuranosyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
3258-05-71-pentofuranosyl-1h-pyrazolo[3,4-d]pyrimidin-4-amineNSC894048-Azatubercidin, monohydrateSCHEMBL29325546DTXSID10954303BIGZBYVPTZEYRU-UHFFFAOYSA-NNSC-89404ZINC015753411-.beta.-d-Ribofuranosyl-1H-pyrazolo[3,4-d]pyrimidine-4-amine
Database identifiers
- CAS
3258-05-7- PubChem CID
- 259452
- DTXSID
DTXSID10954303
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
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Related reactions
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Compound notes
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