D-Glucopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-, tetraacetate
Basic information
- CAS
3616-19-1- Standard SMILES
CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
WOTQVEKSRLZRSX-HYSGBLIFSA-N- Molecular formula
- C28H38O19
- Average molar mass
- 678.6 g/mol
- Monoisotopic mass
- 678.20072898
Overview
D-Cellobiose octaacetate has been reported in Xanthomonas campestris with data available.
Names & identifiers
- Preferred name
- D-Glucopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-, tetraacetate
- IUPAC
- [(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
- English name
- D-(+)-Cellobiose Octaacetate
- Molecular formula
- C28H38O19
- Molecular weight
- 678.59
Names & synonyms
3616-19-1Beta-D-maltose octaacetatebeta-D-Cellobiose octaacetateD-(+)-Cellobiose-Octaacetatea-D-Glucopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)-,tetraacetate20764-63-0D-(+)-Cellobiose octaacetateD(+)-Cellobiose octaacetateMFCD00079432EINECS 222-799-7Maybridge1_004250D-beta-octaacetocellobiose
Show more names
CELLOBIOSE OCTAACETATED-CELLOBIOSE OCTAACETATED-β-OctaacetocellobioseOcta-O-acetylcellobioseOctaacetyl-D-cellobioseA-D-CELLOBIOSE OCTAACETATEALPHA-CELLOBIOSE OCTAACETATE
Octa-O-acetyl D-CellobioseSCHEMBL181128HMS553J06WOTQVEKSRLZRSX-HYSGBLIFSA-N4-O-(2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl)-alpha-D-glucopyranose 1,2,3,6-TetraacetateAKOS016010485CS-W014412OC05954
Database identifiers
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 238 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 20
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,200
Physicochemical properties
- Melting point
- 225 · 225-232 °C
- Boiling point
- 683.1 · 683.1±55.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- 0.1 g/mL, · chloroform: 0.1 g/mL, clear, colorless to faintly brownish-yellow
- form
- Solid
- color
- White
- Stability
- Stable at RT
- CAS DataBase Reference
- 3616 · 3616-19-1
- EPA Substance Registry System
- 4 · D-Glucopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)-, tetraacetate (3616-19-1)
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- F
- 10 · 10-21
- TSCA
- TSCA listed
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
- F
- 10-21
- wgk
- 3
- tsca
- TSCA listed
- safety_code
- 24/25
Chemistry & industry
Applications
UsesD-(+)-Cellobiose Octaacetate is a useful compound in the preparation of glycosphingolipid analogs and their binding with HIV-1 recombinant Gp120.
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Related reactions
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Compound notes
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