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α-D-Cellobiose octaacetate

CAT: 0024-sc-257032Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-257032Size:25 g
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CAS Number
5346-90-7

Chemical Information

Alpha-D-cellobiose octaacetate

[(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{[(2R,3R,4S,5R,6R)-4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate has been reported in Anabaena and Romanoa with data available.

CAS Number5346-90-7
PubChem CID111065
IUPAC Name[(2R,3R,4S,5R,6R)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
Molecular FormulaC28H38O19
Molecular Weight678.6
XLogP0.2
Topological Polar Surface Area238
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count19
Rotatable Bond Count20
Heavy Atom Count47
Formal Charge0
Complexity1200
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C28H38O19/c1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22-,23+,24+,25-,26-,27+,28+/m1/s1
InChIKey
WOTQVEKSRLZRSX-AXXYRMHMSA-N
Chemical Structure
2D Structure
2D structure of Alpha-D-cellobiose octaacetate
CAS: 5346-90-7
CID: 111065
Formula: C28H38O19
MW: 678.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight678.6
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count19
Rotatable Bond Count20
Exact Mass678.20072898
Monoisotopic Mass678.20072898
Topological Polar Surface Area238 Ų
Heavy Atom Count47
Formal Charge0
Complexity1200
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TSW-00178-01α-D-Cellobiose octaacetate
296823-01D-Cellobiose octaacetate
MBS6028289-01D-(+)-Cellobiose Octaacetate
C06000-01A-D-Cellobiose Octaacetate
C2606-02D- (+) -Cellobiose Octaacetate
BISY025-01Alpha-D-cellobiose octaacetate
HY-W013696-01α-D-Cellobiose octaacetate, 98%
297551-01A-D-Maltose octaacetate
TSW-00410-01α-D-Maltose octaacetate
HY-W113965-01β-D-Maltose octaacetate

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