(2S)-2-amino-4-methylsulfanylbutanoic acid;manganese;sulfuric acid;zinc;hydrate

C5H15MnNO7S2Zn — CID 174931262

IUPAC(2S)-2-amino-4-methylsulfanylbutanoic acid;manganese;sulfuric acid;zinc;hydrate
SMILESCSCC[C@H](N)C(=O)O.O.O=S(=O)(O)O.[Mn].[Zn]
InChIInChI=1S/C5H11NO2S.Mn.H2O4S.H2O.Zn/c1-9-3-2-4(6)5(7)8;;1-5(2,3)4;;/h4H,2-3,6H2,1H3,(H,7,8);;(H2,1,2,3,4);1H2;/t4-;;;;/m0..../s1
InChIKeyAFERXAZOFOBYLF-NDNWHDOQSA-N
MW385.64 g/mol
LogP-1.33
Rot. Bonds4

About (2S)-2-amino-4-methylsulfanylbutanoic acid;manganese;sulfuric acid;zinc;hydrate

(2S)-2-amino-4-methylsulfanylbutanoic acid;manganese;sulfuric acid;zinc;hydrate (PubChem CID 174931262) has the molecular formula C5H15MnNO7S2Zn and a molecular weight of 385.64 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanylbutanoic acid;manganese;sulfuric acid;zinc;hydrate.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanylbutanoic acid;manganese;sulfuric acid;zinc;hydrate
PubChem CID174931262
Molecular FormulaC5H15MnNO7S2Zn
Molecular Weight385.64 g/mol
Exact Mass383.90
IUPAC Name(2S)-2-amino-4-methylsulfanylbutanoic acid;manganese;sulfuric acid;zinc;hydrate
SMILESCSCC[C@H](N)C(=O)O.O.O=S(=O)(O)O.[Mn].[Zn]
InChIInChI=1S/C5H11NO2S.Mn.H2O4S.H2O.Zn/c1-9-3-2-4(6)5(7)8;;1-5(2,3)4;;/h4H,2-3,6H2,1H3,(H,7,8);;(H2,1,2,3,4);1H2;/t4-;;;;/m0..../s1
InChIKeyAFERXAZOFOBYLF-NDNWHDOQSA-N
XLogP-1.33
TPSA169.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.64
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-methylsulfanylbutanoic acid;sulfuric acid
CID 18780207
2-amino-4-methylsulfanylbutanoic acid;hydron;iron;sulfuric acid
CID 71301295
bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc
CID 132989209
2-amino-4-methylsulfanylbutanoic acid;sulfane;hydrate
CID 174389151
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
2-amino-4-methylsulfanylbutanoic acid
CID 876
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
CID 87289409
(2S)-2-amino-4-methylsulfanylbutanoic acid;molybdenum
CID 174796438
CID 173007920
CID 173007920

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylsulfanylbutanoic acid;manganese;sulfuric acid;zinc;hydrate?
The IUPAC name of (2S)-2-amino-4-methylsulfanylbutanoic acid;manganese;sulfuric acid;zinc;hydrate (CID 174931262) is (2S)-2-amino-4-methylsulfanylbutanoic acid;manganese;sulfuric acid;zinc;hydrate.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanylbutanoic acid;manganese;sulfuric acid;zinc;hydrate?
The canonical SMILES for (2S)-2-amino-4-methylsulfanylbutanoic acid;manganese;sulfuric acid;zinc;hydrate is CSCC[C@H](N)C(=O)O.O.O=S(=O)(O)O.[Mn].[Zn].
What is the InChIKey of (2S)-2-amino-4-methylsulfanylbutanoic acid;manganese;sulfuric acid;zinc;hydrate?
The InChIKey is AFERXAZOFOBYLF-NDNWHDOQSA-N. The full InChI is InChI=1S/C5H11NO2S.Mn.H2O4S.H2O.Zn/c1-9-3-2-4(6)5(7)8;;1-5(2,3)4;;/h4H,2-3,6H2,1H3,(H,7,8);;(H2,1,2,3,4);1H2;/t4-;;;;/m0..../s1.
What are the key properties of (2S)-2-amino-4-methylsulfanylbutanoic acid;manganese;sulfuric acid;zinc;hydrate?
(2S)-2-amino-4-methylsulfanylbutanoic acid;manganese;sulfuric acid;zinc;hydrate has a molecular weight of 385.64 g/mol, XLogP of -1.33, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylsulfanylbutanoic acid;manganese;sulfuric acid;zinc;hydrate is sourced from PubChem (CID 174931262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).