sodium;gold(1+);2-hydroxy-3-sulfidopropane-1-sulfonate

C3H6AuNaO4S2 — CID 10452965

IUPACsodium;gold(1+);2-hydroxy-3-sulfidopropane-1-sulfonate
SMILESO=S(=O)([O-])CC(O)C[S-].[Au+].[Na+]
InChIInChI=1S/C3H8O4S2.Au.Na/c4-3(1-8)2-9(5,6)7;;/h3-4,8H,1-2H2,(H,5,6,7);;/q;2*+1/p-2
InChIKeyKBWWFTIQBJUOQR-UHFFFAOYSA-L
MW390.17 g/mol
LogP-4.56
Rot. Bonds3

About sodium;gold(1+);2-hydroxy-3-sulfidopropane-1-sulfonate

sodium;gold(1+);2-hydroxy-3-sulfidopropane-1-sulfonate (PubChem CID 10452965) has the molecular formula C3H6AuNaO4S2 and a molecular weight of 390.17 g/mol. Its IUPAC name is sodium;gold(1+);2-hydroxy-3-sulfidopropane-1-sulfonate.

Molecular Properties

Compound Namesodium;gold(1+);2-hydroxy-3-sulfidopropane-1-sulfonate
PubChem CID10452965
Molecular FormulaC3H6AuNaO4S2
Molecular Weight390.17 g/mol
Exact Mass389.93
IUPAC Namesodium;gold(1+);2-hydroxy-3-sulfidopropane-1-sulfonate
SMILESO=S(=O)([O-])CC(O)C[S-].[Au+].[Na+]
InChIInChI=1S/C3H8O4S2.Au.Na/c4-3(1-8)2-9(5,6)7;;/h3-4,8H,1-2H2,(H,5,6,7);;/q;2*+1/p-2
InChIKeyKBWWFTIQBJUOQR-UHFFFAOYSA-L
XLogP-4.56
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.17
LogP ≤ 5-4.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;gold(1+);2-hydroxy-3-sulfidopropane-1-sulfonate?
The IUPAC name of sodium;gold(1+);2-hydroxy-3-sulfidopropane-1-sulfonate (CID 10452965) is sodium;gold(1+);2-hydroxy-3-sulfidopropane-1-sulfonate.
What is the SMILES notation for sodium;gold(1+);2-hydroxy-3-sulfidopropane-1-sulfonate?
The canonical SMILES for sodium;gold(1+);2-hydroxy-3-sulfidopropane-1-sulfonate is O=S(=O)([O-])CC(O)C[S-].[Au+].[Na+].
What is the InChIKey of sodium;gold(1+);2-hydroxy-3-sulfidopropane-1-sulfonate?
The InChIKey is KBWWFTIQBJUOQR-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H8O4S2.Au.Na/c4-3(1-8)2-9(5,6)7;;/h3-4,8H,1-2H2,(H,5,6,7);;/q;2*+1/p-2.
What are the key properties of sodium;gold(1+);2-hydroxy-3-sulfidopropane-1-sulfonate?
sodium;gold(1+);2-hydroxy-3-sulfidopropane-1-sulfonate has a molecular weight of 390.17 g/mol, XLogP of -4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;gold(1+);2-hydroxy-3-sulfidopropane-1-sulfonate is sourced from PubChem (CID 10452965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).