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1,5-Anhydro-D-sorbitol

CAT: 0862-GC8099-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0862-GC8099-100mgSize:100 mg
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CAS Number
154-58-5
EC Number
205-829-3
MDL Number
MFCD00067386
HS Code
29329900
Purity
97.00%
Molecular Formula
C6H12O5
Molecular Weight
164.16
Storage Conditions
+4°C
Hazardous Class
Not hazardous

Chemical Information

1,5-Anhydroglucitol

1,5-anhydro-D-glucitol is an anhydro sugar of D-glucitol. It has a role as a human metabolite. It is functionally related to a D-glucitol.

CAS Number154-58-5
PubChem CID64960
IUPAC Name(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC6H12O5
Molecular Weight164.16
XLogP-2.1
Topological Polar Surface Area90.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity128
SMILES
C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
InChIKey
MPCAJMNYNOGXPB-SLPGGIOYSA-N
Chemical Structure
2D Structure
2D structure of 1,5-Anhydroglucitol
CAS: 154-58-5
CID: 64960
Formula: C6H12O5
MW: 164.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.16
XLogP3-2.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass164.06847348
Monoisotopic Mass164.06847348
Topological Polar Surface Area90.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity128
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-216143B1,5-Anhydro-D-sorbitol
MBS6050566-011,5-Anhydro-D-glucitol (1,5-Anhydro-D-sorbitol)
TRC-A655525-5G1,4-Anhydro-D-sorbitol
A2295-12K1,4-Anhydro-D-sorbitol (1,4-Anhydro-D-glucitol)
MA08330-011,5-Anhydro-D-fructose
MA120551,5-Anhydro-D-galactitol
292427-011,5-Anhydro-D-mannitol
TRC-A648000-100MG1,5-Anhydro-D-glucitol
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