Basic information
- CAS
94782-00-0- Standard SMILES
Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O[C@H]2CCn3ccc(CO)c32)nc1=O- InChIKey
QTZDWEDIYGWFCN-BYNSBNAKSA-N- Molecular formula
- C18H23N3O6
- Average molar mass
- 377.4 g/mol
- Monoisotopic mass
- 377.15868546
Names & identifiers
- Preferred name
- Thymidine, 2-O-(2,3-dihydro-7-(hydroxymetyl)-1H-pyrrolizin-1-yl)-, (S)-
- IUPAC
- 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[[(1S)-7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]oxy]-5-methylpyrimidin-4-one
Names & synonyms
Thymidine, 2-O-(2,3-dihydro-7-(hydroxymetyl)-1H-pyrrolizin-1-yl)-, (S)-94782-00-0DTXSID802416161-(2-Deoxy-beta-D-erythro-pentofuranosyl)-2-{[(1S)-7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]oxy}-5-methylpyrimidin-4(1H)-one
Database identifiers
- CAS
94782-00-0- PubChem CID
- 178761
- DTXSID
DTXSID80241616
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 653
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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