N2,N6-DI-D-GLUCONOYL-L-LYSINE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40240367

Structure

InChI Key KIKVLMJAIJTXBU-RUGJADPBSA-N
Smiles OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)NCCCC[C@H](NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O
InChI
InChI=1S/C18H34N2O14/c21-5-8(23)10(25)12(27)14(29)16(31)19-4-2-1-3-7(18(33)34)20-17(32)15(30)13(28)11(26)9(24)6-22/h7-15,21-30H,1-6H2,(H,19,31)(H,20,32)(H,33,34)/t7-,8+,9+,10+,11+,12-,13-,14+,15+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H34N2O14
Molecular Weight 502.2
AlogP -5.61
Hydrogen Bond Acceptor 13.0
Hydrogen Bond Donor 13.0
Number of Rotational Bond 17.0
Polar Surface Area 304.78
Heavy Atoms 34.0

Cross References

Resources Reference
CAS NUMBER 94071-02-0
NORMAN SUSDAT
PubChem 44153819
ChemSpider 34997475.0
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