acetic acid;gold;triphenylphosphanium

C20H20AuO2P+ — CID 6333605

IUPACacetic acid;gold;triphenylphosphanium
SMILESCC(=O)O.[Au].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C2H4O2.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2(3)4;/h1-15H;1H3,(H,3,4);/p+1
InChIKeyNUTGXZNAEWIDCP-UHFFFAOYSA-O
MW520.32 g/mol
LogP3.27
Rot. Bonds3

About acetic acid;gold;triphenylphosphanium

acetic acid;gold;triphenylphosphanium (PubChem CID 6333605) has the molecular formula C20H20AuO2P+ and a molecular weight of 520.32 g/mol. Its IUPAC name is acetic acid;gold;triphenylphosphanium.

Molecular Properties

Compound Nameacetic acid;gold;triphenylphosphanium
PubChem CID6333605
Molecular FormulaC20H20AuO2P+
Molecular Weight520.32 g/mol
Exact Mass520.09
IUPAC Nameacetic acid;gold;triphenylphosphanium
SMILESCC(=O)O.[Au].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C2H4O2.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2(3)4;/h1-15H;1H3,(H,3,4);/p+1
InChIKeyNUTGXZNAEWIDCP-UHFFFAOYSA-O
XLogP3.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetic acid;gold;triphenylphosphanium?
The IUPAC name of acetic acid;gold;triphenylphosphanium (CID 6333605) is acetic acid;gold;triphenylphosphanium.
What is the SMILES notation for acetic acid;gold;triphenylphosphanium?
The canonical SMILES for acetic acid;gold;triphenylphosphanium is CC(=O)O.[Au].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of acetic acid;gold;triphenylphosphanium?
The InChIKey is NUTGXZNAEWIDCP-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15P.C2H4O2.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2(3)4;/h1-15H;1H3,(H,3,4);/p+1.
What are the key properties of acetic acid;gold;triphenylphosphanium?
acetic acid;gold;triphenylphosphanium has a molecular weight of 520.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;gold;triphenylphosphanium is sourced from PubChem (CID 6333605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).