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Alpha-D-Maltose Octaacetate

CAT: 0572-TRC-M158500-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M158500-250MGSize:250 mg
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CAS Number
6920-00-9
Synonyms
1,2,3,6-Tetra-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl)-alpha-D-glucopyranose;
Hazard Statement
No Data Available
Smiles
CC(=O)OC[C@H]1O[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1O[C@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C
Molecular Formula
C28H38O19
Molecular Weight
678.59
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

a-D-Maltose octaacetate

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CAS Number6920-00-9
PubChem CID11445322
IUPAC Name[(2R,3R,4S,5R,6R)-4,5,6-triacetyloxy-3-[(2R,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-WBFYAMQWSA-N
Chemical Structure
2D Structure
2D structure of a-D-Maltose octaacetate
CAS: 6920-00-9
CID: 11445322
Formula: C28H38O19
MW: 678.6
Interactive 3D Structure
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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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