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B-D-Maltose octaacetate

CAT: 0926-OM04136-01Size: 250 gDry Ice: NoHazardous: No
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CAT#:0926-OM04136-01Size:250 g
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CAS Number
22352-19-8
Synonyms
Octa-O-acetyl-b-D-maltose; Maltobiose; Octaacetyl maltose
MDL Number
MFCD00079432
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
Molecular Formula
C28H38O19
Molecular Weight
678.59 g/mol
Controlled
No

Chemical Information

beta-D-Glucopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl)-, 1,2,3,6-tetraacetate
CAS Number22352-19-8
PubChem CID6710817
IUPAC Name[(2R,3R,4S,5R,6S)-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-QACPWNKNSA-N
Chemical Structure
2D Structure
2D structure of beta-D-Glucopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl)-, 1,2,3,6-tetraacetate
CAS: 22352-19-8
CID: 6710817
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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