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Beta-D-Glucose Pentaacetate

CAT: 0572-TRC-G596500-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-G596500-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
604-69-3
Synonyms
1,2,3,4,6-pentaacetate β-D-glucopyranose
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CC(=O)OC[C@H]1O[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
Molecular Formula
C16 H22 O11
Molecular Weight
390.34
InChI
InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16-/m1/s1
Additionnal Information
IUPAC name: [(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

beta-D-Glucose pentaacetate

Beta-d-glucose pentaacetate is an organooxygen compound. It is functionally related to a hexacarboxylic acid.

CAS Number604-69-3
PubChem CID2724702
IUPAC Name[(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
Molecular FormulaC16H22O11
Molecular Weight390.34
XLogP0.6
Topological Polar Surface Area141
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count27
Formal Charge0
Complexity599
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16-/m1/s1
InChIKey
LPTITAGPBXDDGR-IBEHDNSVSA-N
Chemical Structure
2D Structure
2D structure of beta-D-Glucose pentaacetate
CAS: 604-69-3
CID: 2724702
Formula: C16H22O11
MW: 390.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.34
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass390.11621151
Monoisotopic Mass390.11621151
Topological Polar Surface Area141 Ų
Heavy Atom Count27
Formal Charge0
Complexity599
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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