tris((2R)-2-acetamido-3-sulfanylpropanoate);gold(3+)

C15H24AuN3O9S3 — CID 159067703

IUPACtris((2R)-2-acetamido-3-sulfanylpropanoate);gold(3+)
SMILESCC(=O)N[C@@H](CS)C(=O)[O-].CC(=O)N[C@@H](CS)C(=O)[O-].CC(=O)N[C@@H](CS)C(=O)[O-].[Au+3]
InChIInChI=1S/3C5H9NO3S.Au/c3*1-3(7)6-4(2-10)5(8)9;/h3*4,10H,2H2,1H3,(H,6,7)(H,8,9);/q;;;+3/p-3/t3*4-;/m000./s1
InChIKeyJZGQIKYVQMYMHP-FOIRCHMTSA-K
MW683.54 g/mol
LogP-5.49
Rot. Bonds9

About tris((2R)-2-acetamido-3-sulfanylpropanoate);gold(3+)

tris((2R)-2-acetamido-3-sulfanylpropanoate);gold(3+) (PubChem CID 159067703) has the molecular formula C15H24AuN3O9S3 and a molecular weight of 683.54 g/mol. Its IUPAC name is tris((2R)-2-acetamido-3-sulfanylpropanoate);gold(3+).

Molecular Properties

Compound Nametris((2R)-2-acetamido-3-sulfanylpropanoate);gold(3+)
PubChem CID159067703
Molecular FormulaC15H24AuN3O9S3
Molecular Weight683.54 g/mol
Exact Mass683.03
IUPAC Nametris((2R)-2-acetamido-3-sulfanylpropanoate);gold(3+)
SMILESCC(=O)N[C@@H](CS)C(=O)[O-].CC(=O)N[C@@H](CS)C(=O)[O-].CC(=O)N[C@@H](CS)C(=O)[O-].[Au+3]
InChIInChI=1S/3C5H9NO3S.Au/c3*1-3(7)6-4(2-10)5(8)9;/h3*4,10H,2H2,1H3,(H,6,7)(H,8,9);/q;;;+3/p-3/t3*4-;/m000./s1
InChIKeyJZGQIKYVQMYMHP-FOIRCHMTSA-K
XLogP-5.49
TPSA207.69 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500683.54
LogP ≤ 5-5.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

sodium 2-acetamido-3-sulfanylpropanoate
CID 23678797
lithium 2-acetamido-3-sulfanylpropanoate
CID 87246334
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide
CID 144564571
2-acetamido-3-sulfanylpropanethioic S-acid
CID 89034608
2-acetamido-3-sulfanylpropanoic acid;azane
CID 14369897
lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride
CID 175290404
calcium 2-acetamido-3-sulfidopropanoate
CID 46195372
(2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-sulfanylpropanoate
CID 155903251
N-(1-phosphanyl-3-sulfanyl-1-sulfanylidenepropan-2-yl)acetamide
CID 89034866
2-acetamido-N-propan-2-yl-3-sulfanylpropanamide
CID 88909683
2-hydroxypropanoyl 2-acetamido-3-sulfanylpropaneperoxoate
CID 138986918

Frequently Asked Questions

What is the IUPAC name of tris((2R)-2-acetamido-3-sulfanylpropanoate);gold(3+)?
The IUPAC name of tris((2R)-2-acetamido-3-sulfanylpropanoate);gold(3+) (CID 159067703) is tris((2R)-2-acetamido-3-sulfanylpropanoate);gold(3+).
What is the SMILES notation for tris((2R)-2-acetamido-3-sulfanylpropanoate);gold(3+)?
The canonical SMILES for tris((2R)-2-acetamido-3-sulfanylpropanoate);gold(3+) is CC(=O)N[C@@H](CS)C(=O)[O-].CC(=O)N[C@@H](CS)C(=O)[O-].CC(=O)N[C@@H](CS)C(=O)[O-].[Au+3].
What is the InChIKey of tris((2R)-2-acetamido-3-sulfanylpropanoate);gold(3+)?
The InChIKey is JZGQIKYVQMYMHP-FOIRCHMTSA-K. The full InChI is InChI=1S/3C5H9NO3S.Au/c3*1-3(7)6-4(2-10)5(8)9;/h3*4,10H,2H2,1H3,(H,6,7)(H,8,9);/q;;;+3/p-3/t3*4-;/m000./s1.
What are the key properties of tris((2R)-2-acetamido-3-sulfanylpropanoate);gold(3+)?
tris((2R)-2-acetamido-3-sulfanylpropanoate);gold(3+) has a molecular weight of 683.54 g/mol, XLogP of -5.49, 9 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris((2R)-2-acetamido-3-sulfanylpropanoate);gold(3+) is sourced from PubChem (CID 159067703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).