Basic information
- CAS
113203-27-3- Standard SMILES
COOC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1OC(C)=O- InChIKey
ZTMZCSWWCLEWTC-HBNTYKKESA-N- Molecular formula
- C13H18N2O7
- Average molar mass
- 314.29 g/mol
- Monoisotopic mass
- 314.11140092
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3'-O-acetyl-2'-deoxy-5-methoxymethyluridine
- IUPAC
- [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(methylperoxymethyl)oxolan-3-yl] acetate
- English name
- 3'-O-acetyl-2'-deoxy-5-methoxymethyluridine
- Molecular formula
- C13H18N2O7
- Molecular weight
- 314.29
Names & synonyms
Mmacdurd113203-27-3Thymidine, alpha-methoxy-, 3'-acetate3'-O-Acetyl-2'-deoxy-5-methoxymethyluridineRefChem:90488[(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(methylperoxymethyl)oxolan-3-yl] acetate3/'-O-acetyl-2/'-deoxy-5-methoxymethyluridineThymidine, α-methoxy-, 3'-acetate (9CI)
Database identifiers
- CAS
113203-27-3- PubChem CID
- 196676
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 505
Physicochemical properties
- Density
- 1.43 g/cm3 · 1.43 g/cm3
- pka
- 9.04 · 9.04±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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