Basic information
- CAS
18311-52-9- Standard SMILES
CC(=O)OCOC1C(COC(C)=O)OCOC(COC(C)=O)C1OCOC(C)=O- InChIKey
MAZKRBGBNOYUSO-UHFFFAOYSA-N- Molecular formula
- C17H26O12
- Average molar mass
- 422.4 g/mol
- Monoisotopic mass
- 422.14242626
Names & identifiers
- Preferred name
- [5,6-Bis(acetyloxymethoxy)-7-(acetyloxymethyl)-1,3-dioxepan-4-yl]methyl acetate
- IUPAC
- [5,6-bis(acetyloxymethoxy)-7-(acetyloxymethyl)-1,3-dioxepan-4-yl]methyl acetate
- English name
- [5,6-bis(acetyloxymethoxy)-7-(acetyloxymethyl)-1,3-dioxepan-4-yl]methy l acetate
- Molecular formula
- C17H26O12
- Molecular weight
- 422.38
Names & synonyms
5463-69-418311-52-9NSC15025DTXSID40279990DTXSID40969905NSC-15025NSC226060NSC-2260601,6-Di-O-acetyl-3,4-bis-O-[(acetyloxy)methyl]-2,5-O-methylidenehexitol[{4,7-Bis[(acetyloxy)methyl]-1,3-dioxepane-5,6-diyl}bis(oxy)methylene] diacetate({6-[(ACETYLOXY)METHOXY]-4,7-BIS[(ACETYLOXY)METHYL]-1,3-DIOXEPAN-5-YL}OXY)METHYL ACETATE1,3-Dioxepane-4,7-dimethanol, 5,6-bis[(acetyloxy)methoxy]-, diacetate (9CI)
Show more names
[5,6-bis(acetyloxymethoxy)-7-(acetyloxymethyl)-1,3-dioxepan-4-yl]methy l acetate
Database identifiers
- CAS
18311-52-9、5463-69-4- PubChem CID
- 225513
- DTXSID
DTXSID40279990
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 14
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 515
Physicochemical properties
- Boiling point
- 502.2 · 502.2±50.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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