2'-Dicyclohexylphosphino-2,6-dimethoxy-3-sulfonato-1,1'-biphenyl hydrate sodium salt

C₂₆H₃₆NaO₆PSCAS 1049726-96-6530.59 g/mol

Open in Covalent MOL file

Ether Phosphine Sulfonic acid

Properties

Molecular formula: C₂₆H₃₆NaO₆PS
Molar mass: 530.59 g/mol
Exact mass: 530.1868 Da
logP: 2.23Crippen estimate
Polar surface area: 107.2 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 7

Identifiers

CAS number

1049726-96-6

SMILES

COC1=C(C(=C(C=C1)S(=O)(=O)[O-])OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4.O.[Na+]

InChIKey

MAPQBSXKBDVINV-UHFFFAOYSA-M

InChI

InChI=1S/C26H35O5PS.Na.H2O/c1-30-22-17-18-24(33(27,28)29)26(31-2)25(22)21-15-9-10-16-23(21)32(19-11-5-3-6-12-19)20-13-7-4-8-14-20;;/h9-10,15-20H,3-8,11-14H2,1-2H3,(H,27,28,29);;1H2/q;+1;/p-1

Weigh it out

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

Work with 2'-Dicyclohexylphosphino-2,6-dimethoxy-3-sulfonato-1,1'-biphenyl hydrate sodium salt

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

Sphos657408-07-655 % similar [2′-(Amino-κN)[1,1′-biphenyl]-2-yl-κC][dicyclohexyl(2′,6′-dimethoxy[1,1′-biphenyl]-2-yl)phosphine-κP](methanesulfonato-κO)palladium1445085-82-446 % similar (Sp-4-3)-[dicyclohexyl(2′,6′-dimethoxy[1,1′-biphenyl]-2-yl)phosphine-κP](methanesulfonato-κO)[2′-(methylamino-κN)[1,1′-biphenyl]-2-yl-κC]palladium1599466-87-144 % similar [2′,6′-Bis(1-methylethoxy)[1,1′-biphenyl]-2-yl]dicyclohexylphosphine787618-22-843 % similar (Sp-4-4)-[2-[2-(amino-κN)ethyl]phenyl-κC]chloro[dicyclohexyl(2′,6′-dimethoxy[1,1′-biphenyl]-2-yl)phosphine-κP]palladium1028206-58-740 % similar Cphos1160556-64-840 % similar Xphos564483-18-738 % similar 2-(Dicyclohexylphosphino)-2′-methylbiphenyl251320-86-238 % similar

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

Elsewhere

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