2-(3,5,6,8,10,11-Hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Basic information
- CAS
79974-37-1- Standard SMILES
OCC1OC(n2ncc3c2ncn2ncnc32)C(O)C1O- InChIKey
ZGDAMJFUZZWHDF-UHFFFAOYSA-N- Molecular formula
- C11H12N6O4
- Average molar mass
- 292.25 g/mol
- Monoisotopic mass
- 292.09200289
Names & identifiers
- Preferred name
- 2-(3,5,6,8,10,11-Hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-(3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
NSC29888279974-37-1DTXSID20316054NSC-2988827-Pentofuranosyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Database identifiers
- CAS
79974-37-1- PubChem CID
- 326806
- DTXSID
DTXSID20316054
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 403
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Compound notes
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