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D- (+) -Trehalose

CAT: 0127-BUP17349-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP17349-01Size:50 mg
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CAS Number
99-20-7
Synonyms
Ergot Sugar, D-Trehalose, Mycose, D- (+) -Trehalose Anhydrous, Trehalose
Purity
=98%
Smiles
O([C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O

Chemical Information

Trehalose

Alpha,alpha-trehalose is a trehalose in which both glucose residues have alpha-configuration at the anomeric carbon. It has a role as a geroprotector, a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite.

CAS Number99-20-7
PubChem CID7427
IUPAC Name(2R,3S,4S,5R,6R)-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-LIZSDCNHSA-N
Chemical Structure
2D Structure
2D structure of Trehalose
CAS: 99-20-7
CID: 7427
Formula: C12H22O11
MW: 342.30
Interactive 3D Structure
Loading 3D structure...
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