Thymidine, 5'-O-(p-toluenesulfonyl)-
Basic information
- CAS
7253-19-2- Standard SMILES
Cc1ccc(S(=O)(=O)OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2O)cc1- InChIKey
RSEWNGNFIIXLHN-UHFFFAOYSA-N- Molecular formula
- C17H20N2O7S
- Average molar mass
- 396.4 g/mol
- Monoisotopic mass
- 396.09912215
Names & identifiers
- Preferred name
- Thymidine, 5'-O-(p-toluenesulfonyl)-
- IUPAC
- [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzenesulfonate
- English name
- 5'-O-(4-Methylphenylsulphonyl)thymidine
- Molecular formula
- C17H20N2O7S
- Molecular weight
- 396.41
Names & synonyms
5'-O-TosylthymidineThymidine, 5'-o-(p-toluenesulfonyl)-5'-Tosylthymidine7253-19-2NSC 69443BRN 0632553RefChem:385613Thymidine, 5'-(4-methylbenzenesulfonate)[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzenesulfonateNSC694435'-O-Tosyl-D-thymidineDTXSID10993373
Show more names
7253- 19-25’-tosylthymidine5’-o-tosylthymidineThymidine 5'-tosylate5'-O-TOLUOLSULFONYL-THYMIDINE5'-p-Toluenesulfonylthymidine5'-(4-Methylbenzenesulfonate)
RSEWNGNFIIXLHN-UHFFFAOYSA-NMFCD08448698NSC-69443NT10016SR-01000359272WLN: T6NVMVJ E1 A- BT5OTJ DQ E1SWR D1SR-01000359272-1[3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate
Database identifiers
- CAS
7253-19-2- PubChem CID
- 98028
- DTXSID
DTXSID10993373
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 722
Physicochemical properties
- Melting point
- 161 °C · >161°C (dec.)
- Density
- 1.425 · 1.425±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 9.55 · 9.55±0.10(Predicted)
- color
- Pale Yellow to Pale Beige
- EWG's Food Scores
- 1 · 1
- Hazard Codes
- Xi
- Hazard Note
- Irritant
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Applications
UsesA nucleoside analogue as inhibitors of thymidylate kinases.
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Related reactions
2 records
Compound notes
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