Basic information
- CAS
42400-22-6- Standard SMILES
O=C(OCC1OCOC1C1OCOC1COC(=O)c1ccccc1)c1ccccc1- InChIKey
JNYZXFPYTPXNQZ-UHFFFAOYSA-N- Molecular formula
- C22H22O8
- Average molar mass
- 414.4 g/mol
- Monoisotopic mass
- 414.13146766
Names & identifiers
- Preferred name
- 4,3-Dioxolane)-5,5'-diylbis(methylene) dibenzoate
- IUPAC
- [5-[5-(benzoyloxymethyl)-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]methyl benzoate
- English name
- 2-O,3-O:4-O,5-O-Bis(methylene)-D-mannitol dibenzoate
- Molecular formula
- C22H22O8
- Molecular weight
- 414.41
Names & synonyms
42400-22-6NSC1184294,3-dioxolane)-5,5'-diylbis(methylene) dibenzoateDTXSID60297833NSC225031NSC-118429NSC-2250312-O,3-O:4-O,5-O-Bis(methylene)-D-mannitol dibenzoate4,4'-bi-1,3-dioxolane-5,5'-diyldimethanediyl dibenzoate{5'-[(Benzoyloxy)methyl][4,4'-bi-1,3-dioxolan]-5-yl}methyl benzoateD-Mannitol, 2,3:4,5-di-O-methylene-, dibenzoate (9CI)
Database identifiers
- CAS
42400-22-6- PubChem CID
- 273296
- DTXSID
DTXSID60297833
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 519
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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