1,2,3,4-Tetra-O-acetyl-6-O-bromoacetylgalactopyranose
Basic information
- CAS
98416-49-0- Standard SMILES
O=C(O)C[C@@H]1[C@@H](CC(=O)O)[C@H](CC(=O)O)O[C@H](COC(=O)CBr)[C@@H]1CC(=O)O- InChIKey
HXUQNGGEPSSWOT-MVCUBJFGSA-N- Molecular formula
- C16H21BrO11
- Average molar mass
- 469.23 g/mol
- Monoisotopic mass
- 468.02672
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1,2,3,4-Tetra-O-acetyl-6-O-bromoacetylgalactopyranose
- IUPAC
- 2-[(2S,3R,4R,5R,6S)-2-[(2-bromoacetyl)oxymethyl]-3,5,6-tris(carboxymethyl)oxan-4-yl]acetic acid
- English name
- 1,2,3,4-tetra-O-acetyl-6-O-bromoacetylgalactopyranose
- Molecular formula
- C16H21BrO11
- Molecular weight
- 469.24
Names & synonyms
Tetra-Ac-bracgal98416-49-01,2,3,4-Tetra-O-acetyl-6-O-bromoacetylgalactopyranoseRefChem:71286DTXSID409132812,2',2'',2'''-(6-{[(Bromoacetyl)oxy]methyl}oxane-2,3,4,5-tetrayl)tetraacetic acid2,2',2'',2'''-[(2S,3R,4R,5R,6S)-6-{[(Bromoacetyl)oxy]methyl}oxane-2,3,4,5-tetrayl]tetraacetic acid6-O-(bromoacetyl)-1,2,3,4-tetra-O-acetyl-β-D-galactopyranoseβ-D-Galactopyranose, 1,2,3,4-tetraacetate 6-(bromoacetate) (9CI)
Database identifiers
- CAS
98416-49-0- PubChem CID
- 126933
- DTXSID
DTXSID40913281
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 620
Physicochemical properties
- Boiling point
- 480.2 · 480.2±45.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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