Synonyms
AK122632; C30H44NaO4PS; Sodium 2'-(dicyclohexylphosphino)-2,6-diisopropyl-[1,1'-biphenyl]-4-sulfonate hydrate; sodium; DTXSID00855870; Sodium 2'-(dicyclohexylphosphanyl)-2,6-di(propan-2-yl)[1,1'-biphenyl]-4-sulfonate--water (1/1/1); sodium 2'-(dicyclohexylphosphanyl)-2,6-diisopropyl-[1,1'-biphenyl]-4-sulfonate hydrate; 2'-DICYCLOHEXYLPHOSPHINO-2,6-DI-I-PROPYL-4-SULFONATO-1,1'-BIPHENYL HYDRATE SODIUM SALT; SCHEMBL2673886; XPHOS-SO3NA HYDRATE;
IUPAC Name
sodium;4-(2-dicyclohexylphosphanylphenyl)-3,5-di(propan-2-yl)benzenesulfonate;hydrate;
Molecular Weight
554.702g/mol
Molecular Formula
C30H44NaO4PS;
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;
InChI Key
JMGIRGSNIJFBDI-UHFFFAOYSA-M;
Complexity
719
Covalently-Bonded Unit Count
3
Exact Mass
554.26g/mol
H-Bond Acceptor
4
H-Bond Donor
1
Heavy Atom Count
37
Monoisotopic Mass
554.26g/mol
Rotatable Bond Count
7
Topological Polar Surface Area
66.6A^2
