N-ACETYLGLUCOSAMINE-6-SULFATE

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

Structure

InChI Key NHZWETQZLORZIR-LXGUWJNJSA-N
Smiles CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO[S](O)(=O)=O
InChI
InChI=1S/C8H15NO9S/c1-4(11)9-5(2-10)7(13)8(14)6(12)3-18-19(15,16)17/h2,5-8,12-14H,3H2,1H3,(H,9,11)(H,15,16,17)/t5-,6+,7+,8+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H15N1O9S1
Molecular Weight 301.05
AlogP -2.57
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 8.0
Polar Surface Area 173.95
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 10356-99-7
NORMAN SUSDAT
CONTENTS