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HTL Biotechnology Hyaluronic Acid HTL Biotechnology Hyaluronic Acid

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Technical details about Hyaluronic Acid, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
Also known as: Ncgc00167966-01, Dsstox_cid_26750, Dsstox_rid_81875, Dsstox_gsid_46750, Chembl1874250, Dtxsid20858848
Molecular Formula
C28H44N2O23
Molecular Weight
776.6  g/mol
InChI Key
KIUKXJAPPMFGSW-YXBJCWEESA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S,4S,5R,6S)-6-[(2S,3R,5S,6R)-3-acetamido-2-[(3S,4R,5R,6R)-6-[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
2.1.2 InChI
InChI=1S/C28H44N2O23/c1-5(33)29-9-18(11(35)7(3-31)47-25(9)46)49-28-17(41)15(39)20(22(53-28)24(44)45)51-26-10(30-6(2)34)19(12(36)8(4-32)48-26)50-27-16(40)13(37)14(38)21(52-27)23(42)43/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45)/t7-,8-,9-,10-,11-,12-,13+,14?,15-,16-,17-,18-,19?,20+,21+,22?,25?,26+,27+,28-/m1/s1
2.1.3 InChI Key
KIUKXJAPPMFGSW-YXBJCWEESA-N
2.1.4 Canonical SMILES
CC(=O)NC1C(C(C(OC1O)CO)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)NC(=O)C)O)O
2.1.5 Isomeric SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O[C@H]2[C@@H]([C@H]([C@@H](C(O2)C(=O)O)O[C@H]3[C@@H](C([C@@H]([C@H](O3)CO)O)O[C@@H]4[C@@H]([C@H](C([C@H](O4)C(=O)O)O)O)O)NC(=O)C)O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Ncgc00167966-01

2. Dsstox_cid_26750

3. Dsstox_rid_81875

4. Dsstox_gsid_46750

5. Chembl1874250

6. Dtxsid20858848

7. Tox21_112595

8. Akos015960603

9. Ac-11740

10. Ac-31947

11. Cas-9004-61-9

12. (4xi)-alpha-d-xylo-hexopyranuronosyl-(1->3)-(3xi)-2-(acetylamino)-2-deoxy-beta-d-ribo-hexopyranosyl-(1->4)-(5xi)-beta-d-xylo-hexopyranuronosyl-(1->3)-2-(acetylamino)-2-deoxy-d-glucopyranose

2.2.2 Other Synonyms

1. Hyaluronan

2.3 Create Date
2008-02-29
3 Chemical and Physical Properties
Molecular Weight 776.6 g/mol
Molecular Formula C28H44N2O23
XLogP3-7.4
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count23
Rotatable Bond Count12
Exact Mass776.23348565 g/mol
Monoisotopic Mass776.23348565 g/mol
Topological Polar Surface Area400 Ų
Heavy Atom Count53
Formal Charge0
Complexity1300
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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