Tris(triphenylphosphinegold)oxonium tetrafluoroborate

Catalog Number	ACM53317876-1
CAS	53317-87-6
Structure
Synonyms	Oxotris((triphenylphosphine)gold) tetrafluoroborate
IUPAC Name	oxidanium;gold;triphenylphosphane;tetrafluoroborate;
Molecular Weight	1483.6
Molecular Formula	C54H48Au3BF4OP3
Canonical SMILES	[B-](F)(F)(F)F.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[OH3+].[Au].[Au].[Au]
InChI	InChI=1S/3C18H15P.3Au.BF4.H2O/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5;/h3*1-15H;1H2/q;-1;/p+1
InChI Key	TUNHIOLOUADRRZ-UHFFFAOYSA-O
Melting Point	207 °C
Purity	98%
Appearance	Powder
Application	Catalyst for the Claisen Rearrangement of propargyl vinyl ethers. Chirality is efficiently transferred. Catalyst for the oxidative cleavage of a Carbon-Carbon triple bond in (Z)-Enynols and cyclization.
Complexity	224
Covalently-Bonded Unit Count	8
Exact Mass	1483.19443
Heavy Atom Count	66
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Monoisotopic Mass	1483.19443
Rotatable Bond Count	9
Topological Polar Surface Area	1 Ų

Q&A

What is the molecular formula of Tris(triphenylphosphinegold)oxonium tetrafluoroborate according to the reference?

The molecular formula is C54H48Au3BF4OP3.

When was Tris(triphenylphosphinegold)oxonium tetrafluoroborate first created, according to the reference?

It was first created on October 26, 2006.

What is the molecular weight of Tris(triphenylphosphinegold)oxonium tetrafluoroborate?

The molecular weight is 1483.6 g/mol.

Which compound is the parent compound of Tris(triphenylphosphinegold)oxonium tetrafluoroborate?

The parent compound is Triphenylphosphine (CID 11776).

What are some synonyms for Tris(triphenylphosphinegold)oxonium tetrafluoroborate mentioned in the reference?

Some synonyms include TRIS[TRIPHENYLPHOSPHINEGOLD(I)]OXONIUM TETRAFLUOROBORATE and Oxotris((triphenylphosphine)gold) tetrafluoroborate.

What is the InChIKey for Tris(triphenylphosphinegold)oxonium tetrafluoroborate?

The InChIKey is TUNHIOLOUADRRZ-UHFFFAOYSA-O.

What is the exact mass of Tris(triphenylphosphinegold)oxonium tetrafluoroborate?

The exact mass is 1483.19443 g/mol.

How many hydrogen bond acceptor counts does Tris(triphenylphosphinegold)oxonium tetrafluoroborate have?

It has 5 hydrogen bond acceptor counts.

What is the topological polar surface area of Tris(triphenylphosphinegold)oxonium tetrafluoroborate?

The topological polar surface area is 1?2.

Is the compound considered canonicalized according to PubChem?

Yes, the compound is canonicalized according to PubChem.