Thymidine, 2-O-(2,3-dihydro-7-(methoxymethyl)-1H-pyrrolizin-1-yl)-, (S)-
Basic information
- CAS
94782-02-2- Standard SMILES
COCc1ccn2c1[C@@H](Oc1nc(=O)c(C)cn1[C@H]1C[C@H](O)[C@@H](CO)O1)CC2- InChIKey
GWOLNTTWIBQHQD-CAOSSQGBSA-N- Molecular formula
- C19H25N3O6
- Average molar mass
- 391.4 g/mol
- Monoisotopic mass
- 391.17433553
Names & identifiers
- Preferred name
- Thymidine, 2-O-(2,3-dihydro-7-(methoxymethyl)-1H-pyrrolizin-1-yl)-, (S)-
- IUPAC
- 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[[(1S)-7-(methoxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]oxy]-5-methylpyrimidin-4-one
Names & synonyms
Thymidine, 2-O-(2,3-dihydro-7-(methoxymethyl)-1H-pyrrolizin-1-yl)-, (S)-94782-02-2DTXSID002416181-(2-Deoxy-beta-D-erythro-pentofuranosyl)-2-{[(1S)-7-(methoxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]oxy}-5-methylpyrimidin-4(1H)-one
Database identifiers
- CAS
94782-02-2- PubChem CID
- 178763
- DTXSID
DTXSID00241618
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 668
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Compound notes
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