Thymidine, 3',3'''-dithiobis(3'-deoxy-)
Basic information
- CAS
107601-08-1- Standard SMILES
Cc1cn([C@H]2C[C@H](SS[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3CO)[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
PPQHJVKTCYCJMY-OWDFPOFWSA-N- Molecular formula
- C20H26N4O8S2
- Average molar mass
- 514.6 g/mol
- Monoisotopic mass
- 514.11920615
Names & identifiers
- Preferred name
- Thymidine, 3',3'''-dithiobis(3'-deoxy-)
- IUPAC
- 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-[[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]disulfanyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
3'-S-ddT dimer3'-Thio-3'-deoxythymidine dimerThymidine, 3',3'''-dithiobis(3'-deoxy-)107601-08-1Thymidine, 3',3'''-dithiobis[3'-deoxy-]CHEMBL62684DTXSID601481191-[(2R,4S,5R)-5-(hydroxymethyl)-4-[[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]disulfanyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione1-[(2R,4S,5R)-5-(Hydroxymethyl)-4-{[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-3-yl]disulfanyl}oxolan-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
107601-08-1- PubChem CID
- 451883
- DTXSID
DTXSID60148119- ChEMBL
CHEMBL62684- Nikkaji
- J2.444.010I
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 870
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…