6-Hydroxymethyl-1,6-dihydropurine ribonucleoside
Basic information
- CAS
29699-93-2- Standard SMILES
OC[C@@H]1N=CNc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O- InChIKey
IHCROVKYMVBOKC-LWZYLSIZSA-N- Molecular formula
- C11H16N4O5
- Average molar mass
- 284.27 g/mol
- Monoisotopic mass
- 284.11206962
Overview
hydroxyl & purine nucleoside containing transition-state analog inhibitor; binds several enzymes including adenosine deaminase; RN given refers to the (R)-isomer
Names & identifiers
- Preferred name
- 6-Hydroxymethyl-1,6-dihydropurine ribonucleoside
- IUPAC
- (2R,3S,4R)-2-(hydroxymethyl)-5-[(6R)-6-(hydroxymethyl)-3,6-dihydropurin-9-yl]oxolane-3,4-diol
Names & synonyms
6-Hmdpr29699-93-26-Hydroxymethyl-1,6-dihydropurine ribonucleosideRefChem:1048301H-Purine-6-methanol, 6,9-dihydro-9-beta-D-ribofuranosyl-, (R)-(2R,3S,4R)-2-(hydroxymethyl)-5-[(6R)-6-(hydroxymethyl)-3,6-dihydropurin-9-yl]oxolane-3,4-diolNSC 249328
Database identifiers
- CAS
29699-93-2- PubChem CID
- 99609
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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