Methyl 3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxane-2-carboxylate
Basic information
- CAS
52678-29-2- Standard SMILES
COC(=O)C1OC(n2ccc(=O)[nH]c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O- InChIKey
VTISRKPGXZCEAO-UHFFFAOYSA-N- Molecular formula
- C17H20N2O11
- Average molar mass
- 428.3 g/mol
- Monoisotopic mass
- 428.10670946
Names & identifiers
- Preferred name
- Methyl 3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxane-2-carboxylate
- IUPAC
- methyl 3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxane-2-carboxylate
Names & synonyms
52678-29-2NSC88760DTXSID70967116NSC-887604-Hydroxy-1-(2,3,4-tri-O-acetyl-6-methylhexopyranosyluronosyl)pyrimidin-2(1H)-one
Database identifiers
- CAS
52678-29-2- PubChem CID
- 259140
- DTXSID
DTXSID70967116
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 793
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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