3,6-Di-O-benzoyl-D-galactal
Basic information
- CAS
130323-36-3- Standard SMILES
O=C(OC[C@H]1OC=C[C@@H](OC(=O)c2ccccc2)[C@H]1O)c1ccccc1- InChIKey
MXJFEWOUOTWSTM-KZNAEPCWSA-N- Molecular formula
- C20H18O6
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.11033829
Names & identifiers
- Preferred name
- 3,6-Di-O-benzoyl-D-galactal
- IUPAC
- [(2R,3R,4R)-4-benzoyloxy-3-hydroxy-3,4-dihydro-2H-pyran-2-yl]methyl benzoate
- English name
- 3 6-Di-O-benzoyl-D-galactal 97
- Molecular formula
- C20H18O6
- Molecular weight
- 354.35
Names & synonyms
130323-36-33,6-Di-O-benzoyl-D-galactalDTXSID30463184RefChem:272273DTXCID60414003((2R,3R,4R)-4-(Benzoyloxy)-3-hydroxy-3,4-dihydro-2H-pyran-2-yl)methyl benzoate3 6-DI-O-BENZOYL-D-GALACTAL 97[(2R,3R,4R)-4-benzoyloxy-3-hydroxy-3,4-dihydro-2H-pyran-2-yl]methyl benzoate((2R,3R,4R)-4-(Benzoyloxy)-3-hydroxy-3,4-dihydro-2H-pyran-2-yl)methylbenzoateMD043122,6-Anhydro-1,4-di-O-benzoyl-5-deoxy-D-arabino-hex-5-enitol3 6-Di-O-benzoyl-D-galactal 97
Show more names
D-arabino-Hex-5-enitol, 2,6-anhydro-5-deoxy-, 1,4-dibenzoate
Database identifiers
- CAS
130323-36-3- PubChem CID
- 11348785
- DTXSID
DTXSID30463184- Nikkaji
- J1.516.327E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 504
Physicochemical properties
- Melting point
- 122 · 122-124 °C(lit.)
- Boiling point
- 521.644 · 521.644±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.327 · 1.327±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.533 · 12.533±0.60(predicted)
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
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Related reactions
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Compound notes
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