2-(3,12-Diamino-4,5,7,9,11-pentazatricyclo[6.4.0.02,6]dodeca-1(12),2,5,8,10-pentaen-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Basic information
- CAS
22256-93-5- Standard SMILES
Nc1ncnc2c1c1c(N)[nH]nc1n2C1OC(CO)C(O)C1O- InChIKey
LQXQVTQYWOJVBE-UHFFFAOYSA-N- Molecular formula
- C12H15N7O4
- Average molar mass
- 321.29 g/mol
- Monoisotopic mass
- 321.11855199
Names & identifiers
- Preferred name
- 2-(3,12-Diamino-4,5,7,9,11-pentazatricyclo[6.4.0.02,6]dodeca-1(12),2,5,8,10-pentaen-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-(3,12-diamino-4,5,7,9,11-pentazatricyclo[6.4.0.02,6]dodeca-1(12),2,5,8,10-pentaen-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
22256-93-5NSC117837DTXSID20944917NSC-1178378-pentofuranosyl-2,8-dihydropyrazolo[4',3':4,5]pyrrolo[2,3-d]pyrimidine-3,4-diamine
Database identifiers
- CAS
22256-93-5- PubChem CID
- 273012
- DTXSID
DTXSID20944917
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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