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((2S,4S,5R,6R)-5-acetamido-6-((1R,2R)-3-acetamido-1,2-dihydroxypropyl)-2-carboxy-4-hydroxytetrahydro-2H-pyran-2-ylthio)(methyl)mercury
FEATURES
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NAMES
  • ((2S,4S,5R,6R)-5-acetamido-6-((1R,2R)-3-acetamido-1,2-dihydroxypropyl)-2-carboxy-4-hydroxytetrahydro-2H-pyran-2-ylthio)(methyl)mercury
SMILES
C[Hg]S[C@]1(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CNC(C)=O)O1
InChI
InChI=1S/C13H22N2O8S.CH3.Hg/c1-5(16)14-4-8(19)10(20)11-9(15-6(2)17)7(18)3-13(24,23-11)12(21)22;;/h7-11,18-20,24H,3-4H2,1-2H3,(H,14,16)(H,15,17)(H,21,22);1H3;/q;;+1/p-1/t7-,8+,9+,10+,11+,13-;;/m0../s1
MOLECULAR FORMULA
C14H24HgN2O8S
CROSS REFERENCES
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((2S,4S,5R,6R)-5-acetamido-6-((1R,2R)-3-acetamido-1,2-dihydroxypropyl)-2-carboxy-4-hydroxytetrahydro-2H-pyran-2-ylthio)(methyl)mercury

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 582.10
AlogP -1.94
HBond donors 6
HBond acceptors 10
Atoms 50
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by ((2S,4S,5R,6R)-5-acetamido-6-((1R,2R)-3-acetamido-1,2-dihydroxypropyl)-2-carboxy-4-hydroxytetrahydro-2H-pyran-2-ylthio)(methyl)mercury.