4,6-Di-O-acetyl-1,5-anhydro-2,3-dideoxy-3-methylhex-1-enitol
Basic information
- CAS
112255-04-6- Standard SMILES
CC(=O)OCC1OC=CC(C)C1OC(C)=O- InChIKey
BNLCOQAPWHDJKI-UHFFFAOYSA-N- Molecular formula
- C11H16O5
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.09977361
Names & identifiers
- Preferred name
- 4,6-Di-O-acetyl-1,5-anhydro-2,3-dideoxy-3-methylhex-1-enitol
- IUPAC
- (3-acetyloxy-4-methyl-3,4-dihydro-2H-pyran-2-yl)methyl acetate
Names & synonyms
DTXSID1011686044,6-Di-O-acetyl-1,5-anhydro-2,3-dideoxy-3-methylhex-1-enitolD-ribo-Hex-1-enitol, 1,5-anhydro-2,3-dideoxy-3-methyl-, diacetate112255-04-6
Database identifiers
- CAS
112255-04-6- PubChem CID
- 85538733
- DTXSID
DTXSID101168604
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 297
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Compound notes
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