SODIUM 6-HEXANAMIDOPENICILLANATE

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

Structure

InChI Key PGGDFLXSXDLMKV-UHFFFAOYSA-M
Smiles CCCCCC(=O)NC1C2SC(C)(C)C(N2C1=O)C(=O)O[Na]
InChI
InChI=1/C14H22N2O4S.Na/c1-4-5-6-7-8(17)15-9-11(18)16-10(13(19)20)14(2,3)21-12(9)16;/h9-10,12H,4-7H2,1-3H3,(H,15,17)(H,19,20);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H22N2O4S.Na
Molecular Weight 336.11
AlogP -2.16
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 93.03
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 575-47-3
NORMAN SUSDAT
CONTENTS