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Beta Glucan

CAT: 1596-AR-G01768-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-G01768-04Size:100 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
9012-72-0
API Name
Glucan

Chemical Information

Polyglucosan

beta Glucan has been reported in Avena sativa with data available.

CAS Number9012-72-0
PubChem CID71312131
IUPAC Name(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-4-[(2S,3R,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol
Molecular FormulaC18H32O14
Molecular Weight472.4
XLogP-4.3
Topological Polar Surface Area228
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity582
SMILES
C1[C@@H]([C@H](O[C@H]([C@@H]1O)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](CO[C@@H]([C@H]3O)CO)O)CO)O)CO)O
InChI
InChI=1S/C18H32O14/c19-2-9-6(22)1-7(23)17(29-9)32-16-13(26)11(4-21)30-18(14(16)27)31-15-8(24)5-28-10(3-20)12(15)25/h6-27H,1-5H2/t6-,7+,8-,9+,10+,11+,12+,13+,14+,15+,16-,17-,18-/m0/s1
InChIKey
SPMCUTIDVYCGCK-IIIGWGBSSA-N
Chemical Structure
2D Structure
2D structure of Polyglucosan
CAS: 9012-72-0
CID: 71312131
Formula: C18H32O14
MW: 472.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.4
XLogP3-4.3
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Exact Mass472.17920569
Monoisotopic Mass472.17920569
Topological Polar Surface Area228 Ų
Heavy Atom Count32
Formal Charge0
Complexity582
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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