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2,5-Anhydro-D-glucitol

CAT: 0572-TRC-A648005-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A648005-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
27826-73-9
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
OC[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
Molecular Formula
C6 H12 O5
Molecular Weight
164.16
InChI
InChI=1S/C6H12O5/c7-1-3-5(9)6(10)4(2-8)11-3/h3-10H,1-2H2/t3-,4+,5-,6-/m1/s1
Additionnal Information
IUPAC name: (2R,3S,4S,5S)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2,5-anhydro-D-glucitol
CAS Number27826-73-9
PubChem CID176465
IUPAC Name(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
Molecular FormulaC6H12O5
Molecular Weight164.16
XLogP-1.5
Topological Polar Surface Area90.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity114
SMILES
C([C@@H]1[C@H]([C@@H]([C@@H](O1)CO)O)O)O
InChI
InChI=1S/C6H12O5/c7-1-3-5(9)6(10)4(2-8)11-3/h3-10H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKey
MCHWWJLLPNDHGL-JGWLITMVSA-N
Chemical Structure
2D Structure
2D structure of 2,5-anhydro-D-glucitol
CAS: 27826-73-9
CID: 176465
Formula: C6H12O5
MW: 164.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.16
XLogP3-1.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass164.06847348
Monoisotopic Mass164.06847348
Topological Polar Surface Area90.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity114
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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TSW-00533-012,5-Anhydro-D-glucitol
C021991,5-Anhydro-D-glucitol
MBS6053202-012,5-Anhydro-2,5-imino-D-glucitol
292409-012,5-Anhydro-D-glucitol-6-phosphate
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