1-[6-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2,4-dioxopyrimidine-5-carbonitrile
Basic information
- CAS
32465-13-7- Standard SMILES
CC1(C)OCC(C2OC(n3cc(C#N)c(=O)[nH]c3=O)C3OC(C)(C)OC23)O1- InChIKey
WVJXHSWGKRRHIQ-UHFFFAOYSA-N- Molecular formula
- C17H21N3O7
- Average molar mass
- 379.4 g/mol
- Monoisotopic mass
- 379.13795002
Names & identifiers
- Preferred name
- 1-[6-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2,4-dioxopyrimidine-5-carbonitrile
- IUPAC
- 1-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2,4-dioxopyrimidine-5-carbonitrile
Names & synonyms
32465-13-7NSC170732DTXSID10305417NSC-1707321-[6-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Database identifiers
- CAS
32465-13-7- PubChem CID
- 298540
- DTXSID
DTXSID10305417
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 768
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Compound notes
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