Basic information
- CAS
94781-98-3- Standard SMILES
OCc1ccn2c1[C@@H](Nc1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CC2- InChIKey
CRRZWGWBMKUSQV-MBRXSIFGSA-N- Molecular formula
- C18H22N6O5
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 402.16516782
Names & identifiers
- Preferred name
- Adenosine, N-(2,3-dihydro-7-(hydroxymethyl)-1H-pyrrolizin-1-yl)-, (S)-
- IUPAC
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(1S)-7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]amino]purin-9-yl]oxolane-3,4-diol
Names & synonyms
Adenosine, N-(2,3-dihydro-7-(hydroxymethyl)-1H-pyrrolizin-1-yl)-, (S)-94781-98-3DTXSID60241614N-[(1S)-7-(Hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]adenosine
Database identifiers
- CAS
94781-98-3- PubChem CID
- 178759
- DTXSID
DTXSID60241614
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 589
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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