NEURAMINIC ACID

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L4866H38XY

Structure

InChI Key CERZMXAJYMMUDR-QBTAGHCHSA-N
Smiles N[C@@H]1[C@@H](O)CC(O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
InChI
InChI=1S/C9H17NO8/c10-5-3(12)1-9(17,8(15)16)18-7(5)6(14)4(13)2-11/h3-7,11-14,17H,1-2,10H2,(H,15,16)/t3-,4+,5+,6+,7+,9?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H17N1O8
Molecular Weight 267.1
AlogP -4.05
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 4.0
Polar Surface Area 173.7
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 114-04-5
NORMAN SUSDAT
FDA SRS L4866H38XY
CONTENTS