(5,6-Dihydroxy-7-(phenylcarbonyloxymethyl)-1,3-dioxepan-4-yl)methyl benzoate
Basic information
- CAS
74628-94-7- Standard SMILES
O=C(OCC1OCOC(COC(=O)c2ccccc2)C(O)C1O)c1ccccc1- InChIKey
SYMKKOZGTPZQCY-UHFFFAOYSA-N- Molecular formula
- C21H22O8
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 402.13146766
Names & identifiers
- Preferred name
- (5,6-Dihydroxy-7-(phenylcarbonyloxymethyl)-1,3-dioxepan-4-yl)methyl benzoate
- IUPAC
- [7-(benzoyloxymethyl)-5,6-dihydroxy-1,3-dioxepan-4-yl]methyl benzoate
Names & synonyms
74628-94-7NSC224283NSC 224283(5,6-Dihydroxy-7-(phenylcarbonyloxymethyl)-1,3-dioxepan-4-yl)methyl benzoate[5,6-Dihydroxy-7-(phenylcarbonyloxymethyl)-1,3-dioxepan-4-yl]methyl benzoateDTXSID10996147[7-(benzoyloxymethyl)-5,6-dihydroxy-1,3-dioxepan-4-yl]methyl benzoateNSC-2242831,6-Di-O-benzoyl-2,5-O-methylidenehexitol
Database identifiers
- CAS
74628-94-7- PubChem CID
- 312802
- DTXSID
DTXSID10996147
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 481
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…