Uridine, 2'-p-toluenesulfonate
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Basic information
- CAS
6206-10-6- Standard SMILES
Cc1ccc(S(=O)(=O)O[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2n2ccc(=O)[nH]c2=O)cc1- InChIKey
PELFVTNUPTXPNF-NMFUWQPSSA-N- Molecular formula
- C16H18N2O8S
- Average molar mass
- 398.4 g/mol
- Monoisotopic mass
- 398.07838671
Names & identifiers
- Preferred name
- Uridine, 2'-p-toluenesulfonate
- IUPAC
- [(2R,3R,4R,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate
- English name
- 1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-(4-methylphenyl)sulfony loxy-oxolan-2-yl]pyrimidine-2,4-dione
- Molecular formula
- C16H18N2O8S
- Molecular weight
- 398.39
Names & synonyms
URIDINE, 2'-P-TOLUENESULFONATE6206-10-6DTXSID00211114RefChem:388182DTXCID00133605[(2R,3R,4R,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate(2R,3R,4R,5R)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl 4-methylbenzenesulfonateAKOS0304897042'-O-(4-Methylbenzene-1-sulfonyl)uridine2'-O-tosyluridine2'-O-(4-Methylphenylsulfonyl)uridineUridine, 2'-(4-methylbenzenesulfonate)
Show more names
4-Methylbenzenesulfonic acid 2'-deoxyuridin-2'-yl ester1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-(4-methylphenyl)sulfony loxy-oxolan-2-yl]pyrimidine-2,4-dione
Database identifiers
- CAS
6206-10-6- PubChem CID
- 22579
- DTXSID
DTXSID00211114- Nikkaji
- J352.817K
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 710
Physicochemical properties
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- 9.39 · 9.39±0.10(Predicted)
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Compound notes
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