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A, ß-Trehalose

CAT: 0127-OR1036644Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
585-91-1
MDL Number
MFCD00792716
Purity
98%
Smiles
OC[C@H]([C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO

Chemical Information

alpha,beta-Trehalose

Alpha,beta-trehalose is a trehalose in which one of the glucose residues has alpha-configuration at the anomeric carbon, while the other has alpha-configuration. It is an alpha-D-glucoside, a beta-D-glucoside and a trehalose.

CAS Number585-91-1
PubChem CID10871590
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
Molecular FormulaC12H22O11
Molecular Weight342.30
XLogP-4.2
Topological Polar Surface Area190
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity348
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12+/m1/s1
InChIKey
HDTRYLNUVZCQOY-BTLHAWITSA-N
Chemical Structure
2D Structure
2D structure of alpha,beta-Trehalose
CAS: 585-91-1
CID: 10871590
Formula: C12H22O11
MW: 342.30
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.30
XLogP3-4.2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass342.11621151
Monoisotopic Mass342.11621151
Topological Polar Surface Area190 Ų
Heavy Atom Count23
Formal Charge0
Complexity348
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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