Cellobiose octaacetate
Basic information
- CAS
3616-19-1- Standard SMILES
CC(=O)OC[C@H]1O[C@@H](OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C=O)OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
NGOPFJZOLWDVPH-KHVMGGNZSA-N- Molecular formula
- C28H38O19
- Average molar mass
- 678.6 g/mol
- Monoisotopic mass
- 678.20072898
Overview
structure in first source
Names & identifiers
- Preferred name
- Cellobiose octaacetate
- IUPAC
- [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R)-2,3,4,5-tetraacetyloxy-6-oxohexoxy]oxan-2-yl]methyl acetate
- English name
- 6-O-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-D-glucose 2,3,4,5-tetraacetate
- Molecular formula
- C28H38O19
- Molecular weight
- 678.59
Names & synonyms
RefChem:918201222-799-7Cellobiose octaacetate53270-74-96-O-(2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl)-D-glucose 2,3,4,5-tetraacetate[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R)-2,3,4,5-tetraacetyloxy-6-oxohexoxy]oxan-2-yl]methyl acetateDTXSID70967853EINECS 258-454-2NS000564142,3,4,5-Tetra-O-acetyl-6-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexose2,3,4,5-Tetra-O-acetyl-6-O-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-D-glucose6-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-D-glucose 2,3,4,5-tetraacetate
Show more names
D-Glucose, 6-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-, 2,3,4,5-tetraacetate6-O-(2-O,3-O,4-O,6-O-Tetraacetyl-β-D-glucopyranosyl)-D-glucose 2,3,4,5-tetraacetate
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 246 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 24
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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