1-[5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxyoxolan-2-yl]-3-methyl-2,4-dioxopyrimidine-5-carbonitrile
Basic information
- CAS
43179-26-6- Standard SMILES
Cn1c(=O)c(C#N)cn(C2OC(C3COC(C)(C)O3)C(O)C2O)c1=O- InChIKey
METOOYTWUXQDOD-UHFFFAOYSA-N- Molecular formula
- C15H19N3O7
- Average molar mass
- 353.33 g/mol
- Monoisotopic mass
- 353.12229995
Names & identifiers
- Preferred name
- 1-[5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxyoxolan-2-yl]-3-methyl-2,4-dioxopyrimidine-5-carbonitrile
- IUPAC
- 1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxyoxolan-2-yl]-3-methyl-2,4-dioxopyrimidine-5-carbonitrile
Names & synonyms
43179-26-6NSC170733DTXSID70305418NSC-1707333-methyl-1-[5,6-O-(1-methylethylidene)hexofuranosyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Database identifiers
- CAS
43179-26-6- PubChem CID
- 298541
- DTXSID
DTXSID70305418
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 682
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Compound notes
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