gold(3+);triphenylphosphane;triacetate

C24H24AuO6P — CID 160881940

IUPACgold(3+);triphenylphosphane;triacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Au+3].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.3C2H4O2.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-2(3)4;/h1-15H;3*1H3,(H,3,4);/q;;;;+3/p-3
InChIKeySNDNMEZHKSQUPJ-UHFFFAOYSA-K
MW636.39 g/mol
LogP-0.29
Rot. Bonds3

About gold(3+);triphenylphosphane;triacetate

gold(3+);triphenylphosphane;triacetate (PubChem CID 160881940) has the molecular formula C24H24AuO6P and a molecular weight of 636.39 g/mol. Its IUPAC name is gold(3+);triphenylphosphane;triacetate.

Molecular Properties

Compound Namegold(3+);triphenylphosphane;triacetate
PubChem CID160881940
Molecular FormulaC24H24AuO6P
Molecular Weight636.39 g/mol
Exact Mass636.10
IUPAC Namegold(3+);triphenylphosphane;triacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Au+3].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.3C2H4O2.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-2(3)4;/h1-15H;3*1H3,(H,3,4);/q;;;;+3/p-3
InChIKeySNDNMEZHKSQUPJ-UHFFFAOYSA-K
XLogP-0.29
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500636.39
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of gold(3+);triphenylphosphane;triacetate?
The IUPAC name of gold(3+);triphenylphosphane;triacetate (CID 160881940) is gold(3+);triphenylphosphane;triacetate.
What is the SMILES notation for gold(3+);triphenylphosphane;triacetate?
The canonical SMILES for gold(3+);triphenylphosphane;triacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Au+3].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of gold(3+);triphenylphosphane;triacetate?
The InChIKey is SNDNMEZHKSQUPJ-UHFFFAOYSA-K. The full InChI is InChI=1S/C18H15P.3C2H4O2.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-2(3)4;/h1-15H;3*1H3,(H,3,4);/q;;;;+3/p-3.
What are the key properties of gold(3+);triphenylphosphane;triacetate?
gold(3+);triphenylphosphane;triacetate has a molecular weight of 636.39 g/mol, XLogP of -0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for gold(3+);triphenylphosphane;triacetate is sourced from PubChem (CID 160881940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).