(-)-DIBENZOYL-L-TARTARIC ACID

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3Q14B666VM
EPA CompTox DTXSID6033401

Structure

InChI Key YONLFQNRGZXBBF-OKILXGFUSA-N
Smiles [O-]C(=O)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c2ccccc2)C([O-])=O
InChI
InChI=1S/C18H14O8/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)(H,21,22)/t13-,14+

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H14O8
Molecular Weight 358.07
AlogP 1.61
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 127.2
Heavy Atoms 26.0

Cross References

Resources Reference
CAS NUMBER 2743-38-6
NORMAN SUSDAT
FDA SRS 3Q14B666VM
CONTENTS