2-(3,5,6,7,8,10,11-Heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Basic information
- CAS
79974-42-8- Standard SMILES
OCC1OC(n2ncc3c2nnn2ncnc32)C(O)C1O- InChIKey
HFDQDEUSLHPKGE-UHFFFAOYSA-N- Molecular formula
- C10H11N7O4
- Average molar mass
- 293.24 g/mol
- Monoisotopic mass
- 293.08725186
Names & identifiers
- Preferred name
- 2-(3,5,6,7,8,10,11-Heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-(3,5,6,7,8,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
NSC29758079974-42-8DTXSID10315819NSC-2975807-Pentofuranosyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c][1,2,3]triazine
Database identifiers
- CAS
79974-42-8- PubChem CID
- 326368
- DTXSID
DTXSID10315819
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…