Structure

Oat β- glucan

CAS
9051-97-2
Catalog Number
ACM9051972
Category
Main Products
Molecular Weight
472.4g/mol
Molecular Formula
C18H32O14

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Specification

Description
Powder, tablets, granules. Health care cosmetics raw materials
Synonyms
Avena Sativa L
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
Canonical SMILES
C1C(C(OC(C1O)OC2C(C(OC(C2O)OC3C(COC(C3O)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
InChI Key
SPMCUTIDVYCGCK-IIIGWGBSSA-N
Appearance
Off-white powder
Complexity
582
Covalently-Bonded Unit Count
1
EC Number
618-576-2
Effective Constituent
Oat β-glucan
Exact Mass
472.179206g/mol
Formal Charge
0
H-Bond Acceptor
14
H-Bond Donor
9
Heavy Atom Count
32
Monoisotopic Mass
472.179206g/mol
Rotatable Bond Count
7
XLogP3
-4.3
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