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Propargyl β-D-maltoside

CAT: 0862-GC8834-10mgSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0862-GC8834-10mgSize:10 mg
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CAS Number
182688-46-6
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Chemical Information

Propargyl beta-D-maltoside
CAS Number182688-46-6
PubChem CID101473918
IUPAC Name(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-ynoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC15H24O11
Molecular Weight380.34
XLogP-4.1
Topological Polar Surface Area179
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity493
SMILES
C#CCO[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/C15H24O11/c1-2-3-23-14-12(22)10(20)13(7(5-17)25-14)26-15-11(21)9(19)8(18)6(4-16)24-15/h1,6-22H,3-5H2/t6-,7-,8-,9+,10-,11-,12-,13-,14-,15-/m1/s1
InChIKey
PVLGGYRASUDQSJ-PZOKTJGCSA-N
Chemical Structure
2D Structure
2D structure of Propargyl beta-D-maltoside
CAS: 182688-46-6
CID: 101473918
Formula: C15H24O11
MW: 380.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.34
XLogP3-4.1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass380.13186158
Monoisotopic Mass380.13186158
Topological Polar Surface Area179 Ų
Heavy Atom Count26
Formal Charge0
Complexity493
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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