Basic information
- CAS
126199-02-8- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@]1(O)CO- InChIKey
MCPYANYIZXDZFD-UAINPKIQSA-N- Molecular formula
- C10H13N5O4
- Average molar mass
- 267.24 g/mol
- Monoisotopic mass
- 267.09675391
Names & identifiers
- Preferred name
- 2,3-Oxetanedimethanol, 4-(6-amino-9H-purin-9-yl)-3-hydroxy-, (2R,3R,4R)-
- IUPAC
- (2R,3R,4R)-2-(6-aminopurin-9-yl)-3,4-bis(hydroxymethyl)oxetan-3-ol
Names & synonyms
126199-02-8NR-621092,3-Oxetanedimethanol, 4-(6-amino-9H-purin-9-yl)-3-hydroxy-, (2R,3R,4R)-(2R,3R,4R)-2-(6-aminopurin-9-yl)-3,4-bis(hydroxymethyl)oxetan-3-ol9-(2-Hydroxymethyl-beta-D-threo-oxetanosyl)adenosineDTXSID901551149-(2-Hydroxymethyl-.beta.-D-threo-oxetanosyl)adenosine(2R,3R,4R)-2-(6-Amino-9H-purin-9-yl)-3,4-bis(hydroxymethyl)oxetan-3-ol
Database identifiers
- CAS
126199-02-8- PubChem CID
- 3000233
- DTXSID
DTXSID90155114
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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