bis(hydroxymethyl)phosphanylmethanol;copper(1+);hexafluorophosphate

C12H36CuF6O12P5 — CID 71493823

IUPACbis(hydroxymethyl)phosphanylmethanol;copper(1+);hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.OCP(CO)CO.OCP(CO)CO.OCP(CO)CO.OCP(CO)CO.[Cu+]
InChIInChI=1S/4C3H9O3P.Cu.F6P/c4*4-1-7(2-5)3-6;;1-7(2,3,4,5)6/h4*4-6H,1-3H2;;/q;;;;+1;-1
InChIKeyYAYUKOKRSOYSHF-UHFFFAOYSA-N
MW704.81 g/mol
LogP0.65
Rot. Bonds12

About bis(hydroxymethyl)phosphanylmethanol;copper(1+);hexafluorophosphate

bis(hydroxymethyl)phosphanylmethanol;copper(1+);hexafluorophosphate (PubChem CID 71493823) has the molecular formula C12H36CuF6O12P5 and a molecular weight of 704.81 g/mol. Its IUPAC name is bis(hydroxymethyl)phosphanylmethanol;copper(1+);hexafluorophosphate.

Molecular Properties

Compound Namebis(hydroxymethyl)phosphanylmethanol;copper(1+);hexafluorophosphate
PubChem CID71493823
Molecular FormulaC12H36CuF6O12P5
Molecular Weight704.81 g/mol
Exact Mass704.01
IUPAC Namebis(hydroxymethyl)phosphanylmethanol;copper(1+);hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.OCP(CO)CO.OCP(CO)CO.OCP(CO)CO.OCP(CO)CO.[Cu+]
InChIInChI=1S/4C3H9O3P.Cu.F6P/c4*4-1-7(2-5)3-6;;1-7(2,3,4,5)6/h4*4-6H,1-3H2;;/q;;;;+1;-1
InChIKeyYAYUKOKRSOYSHF-UHFFFAOYSA-N
XLogP0.65
TPSA242.76 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500704.81
LogP ≤ 50.65
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(hydroxymethyl)phosphanylmethanol;copper(1+);hexafluorophosphate?
The IUPAC name of bis(hydroxymethyl)phosphanylmethanol;copper(1+);hexafluorophosphate (CID 71493823) is bis(hydroxymethyl)phosphanylmethanol;copper(1+);hexafluorophosphate.
What is the SMILES notation for bis(hydroxymethyl)phosphanylmethanol;copper(1+);hexafluorophosphate?
The canonical SMILES for bis(hydroxymethyl)phosphanylmethanol;copper(1+);hexafluorophosphate is F[P-](F)(F)(F)(F)F.OCP(CO)CO.OCP(CO)CO.OCP(CO)CO.OCP(CO)CO.[Cu+].
What is the InChIKey of bis(hydroxymethyl)phosphanylmethanol;copper(1+);hexafluorophosphate?
The InChIKey is YAYUKOKRSOYSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C3H9O3P.Cu.F6P/c4*4-1-7(2-5)3-6;;1-7(2,3,4,5)6/h4*4-6H,1-3H2;;/q;;;;+1;-1.
What are the key properties of bis(hydroxymethyl)phosphanylmethanol;copper(1+);hexafluorophosphate?
bis(hydroxymethyl)phosphanylmethanol;copper(1+);hexafluorophosphate has a molecular weight of 704.81 g/mol, XLogP of 0.65, 12 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hydroxymethyl)phosphanylmethanol;copper(1+);hexafluorophosphate is sourced from PubChem (CID 71493823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).