((5-ARSONO-2-HYDROXYPHENYL)AMINO)METHANESULFINIC ACID, DISODIUM SALT

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

Structure

InChI Key MSEAHRGTAGLWGR-UHFFFAOYSA-N
Smiles [Na+].[Na+].Oc1ccc(cc1NC[S]([O-])=O)[As](O)([O-])=O
InChI
InChI=1S/C7H10AsNO6S/c10-7-2-1-5(8(11,12)13)3-6(7)9-4-16(14)15/h1-3,9-10H,4H2,(H,14,15)(H2,11,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10As1N1O6S1
Molecular Weight 310.94
AlogP -1.46
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 4.0
Polar Surface Area 127.09
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 535-51-3
NORMAN SUSDAT
CONTENTS