DIPHOSPHONOMETHYL-BUTANEDIOIC ACID

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

Structure

InChI Key LDTZSTJLVYBEKB-UHFFFAOYSA-N
Smiles OC(=O)CC(C([P](O)(O)=O)[P](O)(O)=O)C(O)=O
InChI
InChI=1S/C5H10O10P2/c6-3(7)1-2(4(8)9)5(16(10,11)12)17(13,14)15/h2,5H,1H2,(H,6,7)(H,8,9)(H2,10,11,12)(H2,13,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10O10P2
Molecular Weight 291.97
AlogP -1.16
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 6.0
Polar Surface Area 189.66
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 51395-42-7
NORMAN SUSDAT
CONTENTS