2-(Hydroxymethyl)-5-(12-iodo-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)oxolane-3,4-diol
Basic information
- CAS
76867-09-9- Standard SMILES
OCC1OC(n2cc(I)c3c2ncn2ccnc32)C(O)C1O- InChIKey
VRJRFDLDHXHDCM-UHFFFAOYSA-N- Molecular formula
- C13H13IN4O4
- Average molar mass
- 416.17 g/mol
- Monoisotopic mass
- 415.99815
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-5-(12-iodo-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)oxolane-3,4-diol
- IUPAC
- 2-(hydroxymethyl)-5-(12-iodo-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)oxolane-3,4-diol
Names & synonyms
NSC23467076867-09-9DTXSID40310953NSC-2346709-Iodo-7-pentofuranosyl-7H-imidazo[1,2-c]pyrrolo[3,2-e]pyrimidine
Database identifiers
- CAS
76867-09-9- PubChem CID
- 314800
- DTXSID
DTXSID40310953
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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