HYALURONIC ACID

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S270N0TRQY

Structure

InChI Key KIUKXJAPPMFGSW-DNGZLQJQSA-N
Smiles CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H44N2O23
Molecular Weight 776.23
AlogP -7.6
Hydrogen Bond Acceptor 21.0
Hydrogen Bond Donor 14.0
Number of Rotational Bond 12.0
Polar Surface Area 406.69
Heavy Atoms 53.0

Cross References

Resources Reference
CAS NUMBER 9004-61-9
NORMAN SUSDAT
FDA SRS S270N0TRQY
PubChem 3084050
ChemSpider 2341173.0
CONTENTS