2,5-Bishydroxymethyl tetrahydrofuran diacetate
Basic information
- CAS
6973-62-2- Standard SMILES
CC(=O)OCC1CCC(COC(C)=O)O1- InChIKey
PXKOWWAMUSQKRL-UHFFFAOYSA-N- Molecular formula
- C10H16O5
- Average molar mass
- 216.23 g/mol
- Monoisotopic mass
- 216.09977361
Names & identifiers
- Preferred name
- 2,5-Bishydroxymethyl tetrahydrofuran diacetate
- IUPAC
- [5-(acetyloxymethyl)oxolan-2-yl]methyl acetate
- English name
- Nsc40742
- Molecular formula
- C10H16O5
- Molecular weight
- 216.23104
Names & synonyms
6973-62-22,5-BISHYDROXYMETHYL TETRAHYDROFURAN DIACETATE[5-(acetyloxymethyl)oxolan-2-yl]methyl acetate(tetrahydrofuran-2,5-diyl)bis(methylene) diacetate1,6-di-o-acetyl-2,5-anhydro-3,4-dideoxyhexitol2,5-Anhydro-3,4-dideoxy-hexitol DiacetateNSC40742DTXSID40285157NSC-40742AKOS030242681Hexitol, 2,5-anhydro-3,4-dideoxy-, diacetate (9CI)
Database identifiers
- CAS
6973-62-2- PubChem CID
- 237333
- DTXSID
DTXSID40285157
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Boiling point
- 290.9 · 290.9±15.0 °C(Predicted)
- Density
- 1.109 · 1.109±0.06 g/cm3(Predicted)
- solubility
- soluble in Dichloromethane, Ethyl Acetate
- form
- Oil
- color
- Yellow
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Compound notes
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