5'-Deoxy-5'-(isobutylthio)-3-deazaadenosine
Basic information
- CAS
67377-76-8- Standard SMILES
CC(C)CSC[C@H]1O[C@@H](n2cnc3c(N)nccc32)[C@H](O)[C@@H]1O- InChIKey
XDBKDRRIZBSEDB-BPGGGUHBSA-N- Molecular formula
- C15H22N4O3S
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.14126175
Overview
analog of S-adenosylhomocysteine; structure
Names & identifiers
- Preferred name
- 5'-Deoxy-5'-(isobutylthio)-3-deazaadenosine
- IUPAC
- (2R,3R,4S,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
Names & synonyms
3-Deaza-sibaS-isobutyryl-3-deazaadenosine1H-Imidazo(4,5-c)pyridin-4-amine, 1-(5-S-(2-methylpropyl)-5-thio-beta-D-ribofuranosyl)-5'-Deoxy-5'-(isobutylthio)-3-deazaadenosine67377-76-8RefChem:100774(2R,3R,4S,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diolS-Isobutyryl-3-deaza-adenosineNSC 313172
Database identifiers
- CAS
67377-76-8- PubChem CID
- 125650
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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