2'-Dicyclohexylphosphino-2,6-di-I-propyl-4-sulfonato-1,1'-biphenylhydratesodiumsalt

C₃₀H₄₄NaO₄PSCAS 870245-84-4554.70 g/mol

Open in Covalent MOL file

Phosphine Sulfonic acid

Properties

Molecular formula: C₃₀H₄₄NaO₄PS
Molar mass: 554.70 g/mol
Exact mass: 554.2596 Da
logP: 4.46Crippen estimate
Polar surface area: 88.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

870245-84-4

SMILES

CC(C)C1=CC(=CC(=C1C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)C)S(=O)(=O)[O-].O.[Na+]

InChIKey

JMGIRGSNIJFBDI-UHFFFAOYSA-M

InChI

InChI=1S/C30H43O3PS.Na.H2O/c1-21(2)27-19-25(35(31,32)33)20-28(22(3)4)30(27)26-17-11-12-18-29(26)34(23-13-7-5-8-14-23)24-15-9-6-10-16-24;;/h11-12,17-24H,5-10,13-16H2,1-4H3,(H,31,32,33);;1H2/q;+1;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Sodium 2'-(dicyclohexylphosphino)-2,6-diisopropyl-[1,1'-biphenyl]-4-sulfonate hydrate

Work with 2'-Dicyclohexylphosphino-2,6-di-I-propyl-4-sulfonato-1,1'-biphenylhydratesodiumsalt

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Xphos564483-18-761 % similar 2'-Dicyclohexylphosphino-2,6-dimethoxy-3-sulfonato-1,1'-biphenyl hydrate sodium salt1049726-96-658 % similar Xphos palladacycle gen. 41599466-81-548 % similar Xphos pd G11028206-56-543 % similar [2′,6′-Bis(1-methylethoxy)[1,1′-biphenyl]-2-yl]dicyclohexylphosphine787618-22-843 % similar Sphos657408-07-642 % similar CPhos1160556-64-842 % similar 2-(Dicyclohexylphosphino)-2′-methylbiphenyl251320-86-240 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook