N,N'-ETHYLENEBIS-D-GLUCONAMIDE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00216922

Structure

InChI Key UYCIRQBRYNXQBW-TWOHWVPZSA-N
Smiles OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)NCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI
InChI=1S/C14H28N2O12/c17-3-5(19)7(21)9(23)11(25)13(27)15-1-2-16-14(28)12(26)10(24)8(22)6(20)4-18/h5-12,17-26H,1-4H2,(H,15,27)(H,16,28)/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H28N2O12
Molecular Weight 416.16
AlogP -6.23
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 12.0
Number of Rotational Bond 13.0
Polar Surface Area 267.48
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 66803-04-1
NORMAN SUSDAT
PubChem 6455368
ChemSpider 4957635.0
CONTENTS