(4-Methoxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl benzoate
Basic information
- CAS
5517-62-4- Standard SMILES
COC1OC(COC(=O)c2ccccc2)C2OC(=O)OC12- InChIKey
QEJNCDMZMCHLCH-UHFFFAOYSA-N- Molecular formula
- C14H14O7
- Average molar mass
- 294.26 g/mol
- Monoisotopic mass
- 294.07395278
Names & identifiers
- Preferred name
- (4-Methoxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl benzoate
- IUPAC
- (4-methoxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl benzoate
Names & synonyms
5517-62-4methyl 5-o-benzoyl-2,3-o-(oxomethylidene)pentofuranoside(4-methoxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl benzoateNSC145053DTXSID30301633NSC-145053Ribofuranoside, methyl, 5-benzoate, 2,3,-cyclic carbonate, beta-
Database identifiers
- CAS
5517-62-4- PubChem CID
- 286575
- DTXSID
DTXSID30301633
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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