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Methyl a-D-maltoside

CAT: 0127-BICL2460-01Size: 50 mgDry Ice: NoHazardous: No
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CAS Number
4198-49-6
Smiles
CO[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Chemical Information

Methyl alpha-D-maltoside
CAS Number4198-49-6
PubChem CID10937184
IUPAC Name(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC13H24O11
Molecular Weight356.32
XLogP-4.2
Topological Polar Surface Area179
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity396
SMILES
CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
InChI
InChI=1S/C13H24O11/c1-21-12-10(20)8(18)11(5(3-15)23-12)24-13-9(19)7(17)6(16)4(2-14)22-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7+,8-,9-,10-,11-,12+,13-/m1/s1
InChIKey
FHNIYFZSHCGBPP-GQMWFRSDSA-N
Chemical Structure
2D Structure
2D structure of Methyl alpha-D-maltoside
CAS: 4198-49-6
CID: 10937184
Formula: C13H24O11
MW: 356.32
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight356.32
XLogP3-4.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass356.13186158
Monoisotopic Mass356.13186158
Topological Polar Surface Area179 Ų
Heavy Atom Count24
Formal Charge0
Complexity396
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