2,3:4,5-Bis-O-(1-methylethylidene)-D-xylose
Basic information
- CAS
13039-94-6- Standard SMILES
CC1(C)O[C@@H]([C@H]2COC(C)(C)O2)[C@H](C=O)O1- InChIKey
VFGWJIQTAFPNQZ-DJLDLDEBSA-N- Molecular formula
- C11H18O5
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.11542367
Names & identifiers
- Preferred name
- 2,3:4,5-Bis-O-(1-methylethylidene)-D-xylose
- IUPAC
- (4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
- English name
- 2,3:4,5-Di-O-isopropylidene-D-xylose
- Molecular formula
- C11H18O5
- Molecular weight
- 230.26
Names & synonyms
13039-94-62,3:4,5-Bis-O-(1-methylethylidene)-D-xyloseRefChem:245245(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde2,3:4,5-Di-O-isopropylidene-D-xylose(4S,4'R,5R)-2,2,2',2'-Tetramethyl-[4,4'-bi(1,3-dioxolane)]-5-carbaldehydeSCHEMBL9699787DTXSID901262204(4S,4'R,5R)-2,2,2',2'-Tetramethyl[4,4'-bi-1,3-dioxolane]-5-carbaldehyde2,3,4,5-di-O-isopropylidene-D-xylose aldehydeD-Xylose, 2,3:4,5-bis-O-(1-methylethylidene)-
Database identifiers
- CAS
13039-94-6- PubChem CID
- 10242941
- DTXSID
DTXSID901262204- Nikkaji
- J1.997.214C
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Boiling point
- 289.5 · 289.5±40.0 °C(Predicted)
- Density
- 1.159 · 1.159±0.06 g/cm3(Predicted)
Chemistry & industry
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