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Polydextrose

Synopsis, Chemistry

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Also known as: Polydextrose, 68424-04-4, (2s,3r,4s,5s,6r)-6-[[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol, Polydextrose, acid form, Akos037643358, As-15284

Molecular Formula

C₁₂H₂₂O₁₁

Molecular Weight

342.30 g/mol

InChI Key

DLRVVLDZNNYCBX-KNHCDGMMSA-N

Polydextrose is under investigation in clinical trial NCT02258750 (Assessing a Polydextrose Containing Soup on Food Intake, Appetite and Biomarkers of Satiation and Satiety).

1 2D Structure

Polydextrose

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,3R,4S,5S,6R)-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

2.1.2 InChI

InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11+,12?/m1/s1

2.1.3 InChI Key

DLRVVLDZNNYCBX-KNHCDGMMSA-N

2.1.4 Canonical SMILES

C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O

2.1.5 Isomeric SMILES

C([C@@H]1[C@H]([C@@H]([C@H](C(O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O)O)O)O)O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Polydextrose

2.2.2 Depositor-Supplied Synonyms

1. Polydextrose

2. 68424-04-4

3. (2s,3r,4s,5s,6r)-6-[[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

4. Polydextrose, Acid Form

5. Akos037643358

6. As-15284

7. Wurcs=2.0/2,2,1/[a2122h-1a_1-5][a2122h-1x_1-5]/1-2/a6-b1

2.3 Create Date

2013-05-09

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₂O₁₁
Molecular Weight	342.30 g/mol
XLogP3	-4.7
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	4
Exact Mass	342.11621151 g/mol
Monoisotopic Mass	342.11621151 g/mol
Topological Polar Surface Area	190 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	382
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Food Additives

Substances used in the processing or storage of foods or animal feed including ANTIOXIDANTS; FOOD PRESERVATIVES; FOOD COLORING AGENTS; FLAVORING AGENTS; ANTI-INFECTIVE AGENTS; EXCIPIENTS and other similarly used substances. Many of the same substances are used as PHARMACEUTIC AIDS. (See all compounds classified as Food Additives.)