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4-O-Methyl-D-glucose

CAT: 0572-TRC-M308300-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M308300-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4132-38-1
Hazard Statement
No Data Available
Smiles
CO[C@H]1[C@H](O)[C@@H](O)C(O)O[C@@H]1CO
Molecular Formula
C7 H14 O6
Molecular Weight
194.183
InChI
InChI=1S/C7H14O6/c1-12-6-3(2-8)13-7(11)5(10)4(6)9/h3-11H,2H2,1H3/t3-,4-,5-,6-,7?/m1/s1
Additionnal Information
IUPAC name: (3R,4R,5S,6R)-6-(hydroxymethyl)-5-methoxyoxane-2,3,4-triol

Chemical Information

4-O-Methyl-D-glucose
CAS Number4132-38-1
PubChem CID21302172
IUPAC Name(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-methoxyhexanal
Molecular FormulaC7H14O6
Molecular Weight194.18
XLogP-2.9
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count13
Formal Charge0
Complexity150
SMILES
CO[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O
InChI
InChI=1S/C7H14O6/c1-13-7(5(11)3-9)6(12)4(10)2-8/h2,4-7,9-12H,3H2,1H3/t4-,5+,6+,7+/m0/s1
InChIKey
GQYKSISLCPUNJT-BDVNFPICSA-N
Chemical Structure
2D Structure
2D structure of 4-O-Methyl-D-glucose
CAS: 4132-38-1
CID: 21302172
Formula: C7H14O6
MW: 194.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.18
XLogP3-2.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass194.07903816
Monoisotopic Mass194.07903816
Topological Polar Surface Area107 Ų
Heavy Atom Count13
Formal Charge0
Complexity150
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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