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

• CAS: 870245-75-3
• Catalog Number: ACM870245753
• Category: Organic Phosphine Compounds
• Molecular Weight: 530.592g/mol
• Molecular Formula: C26H36NaO6PS
• Synonyms: Sodium 2'-(dicyclohexylphosphino)-2,6-dimethoxybiphenyl-3-sulphonate; SSPhos; SPHOS SODIUM SALT HYDRATE (WATER SOLUBLE); Sodium2'-dicyclohexylphosphino-2,6-dimethoxy-1,1'-biphenyl-3-sulfonatehydrate; AX8246809; [1,1'-BIPHENYL]-3-SULFONIC ACID, 2'-(DICYCLOHEXYLPHOSPHINO)-2,6-DIMETHOXY-SODIUM SALT HYDRATE; MAPQBSXKBDVINV-UHFFFAOYSA-M; Sodium 2'-dicyclohexylphosphino-2,6-dimethoxy-1,1'-biphenyl-3-sulfonate hydrate; SC11292; Sodium 2'-(dicyclohexylphosphino)-2,6-dimethoxy-[1,1'-biphenyl]-3-sulfonate hydrate
• IUPAC Name: sodium;3-(2-dicyclohexylphosphanylphenyl)-2,4-dimethoxybenzenesulfonate;hydrate
• Canonical SMILES: COC1=C(C(=C(C=C1)S(=O)(=O)[O-])OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4.O.[Na+]
• 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
• InChI Key: MAPQBSXKBDVINV-UHFFFAOYSA-M
• Complexity: 687
• Covalently-Bonded Unit Count: 3
• EC Number: 617-945-5
• Exact Mass: 530.187g/mol
• H-Bond Acceptor: 6
• H-Bond Donor: 1
• Heavy Atom Count: 35
• Monoisotopic Mass: 530.187g/mol
• Rotatable Bond Count: 7
• Topological Polar Surface Area: 85A^2