N-ACETYLGALACTOSAMINE 4,6-BISULFATE

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

Structure

InChI Key JDJXXRJSUJZYDJ-OSMVPFSASA-N
Smiles CC(=O)N[C@@H](C=O)[C@@H](O)[C@@H](O[S](O)(=O)=O)[C@H](O)CO[S](O)(=O)=O
InChI
InChI=1S/C8H15NO12S2/c1-4(11)9-5(2-10)7(13)8(21-23(17,18)19)6(12)3-20-22(14,15)16/h2,5-8,12-13H,3H2,1H3,(H,9,11)(H,14,15,16)(H,17,18,19)/t5-,6+,7+,8-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H15N1O12S2
Molecular Weight 381.0
AlogP -2.74
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 10.0
Polar Surface Area 217.32
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 52510-51-7
NORMAN SUSDAT
CONTENTS