AG0039PH

1049726-96-6 | 2'-Dicyclohexylphosphino-2,6-dimethoxy-3-sulfonato-1,1'-biphenyl hydrate sodium salt

AG0039PH

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CAS Number	1049726-96-6
Catalog Number	AG0039PH(AGN-PC-0WD13D)
Chemical Name	2'-Dicyclohexylphosphino-2,6-dimethoxy-3-sulfonato-1,1'-biphenyl hydrate sodium salt
EC Number	617-945-5
IUPAC Name	sodium;3-(2-dicyclohexylphosphanylphenyl)-2,4-dimethoxybenzenesulfonate;hydrate
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
MDL Number	MFCD07781994
Molecular Formula	C26H36NaO6PS
Molecular Weight	530.5890
SMILES	O=S(C1=C(OC)C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)=C(OC)C=C1)([O-])=O.[H]O[H].[Na+]
Synonyms	1049726-96-6, Sodium 2'-(dicyclohexylphosphino)-2,6-dimethoxy-[1,1'-biphenyl]-3-sulfonate hydrate, SSPhos, Sodium 2'-dicyclohexylphosphino-2,6-dimethoxy-1,1'-biphenyl-3-sulfonate hydrate, 870245-75-3, 2'-DICYCLOHEXYLPHOSPHINO-2,6-DIMETHOXY-3-SULFONATO-1,1'-BIPHENYL HYDRATE SODIUM SALT, 2'-Dicyclohexylphosphino-2,6-dimethoxy-3-sulfonato-1,1'iphenyl hydrate sodium salt(water soluble SPhos), SPhos (water soluble), C26H36NaO6PS, SCHEMBL270939, DTXSID40635658, SSPHOS SODIUM SALT HYDRATE, MAPQBSXKBDVINV-UHFFFAOYSA-M, KS-00000V3M, 1097AA, MFCD07781994, AKOS016012222, SC11292, SC-67366, AX8246809, SPHOS SODIUM SALT HYDRATE (WATER SOLUBLE), 2'-Dicyclohexylphosphino-2,6-dimethoxy-3-sulfonato, Sodium 2'-(dicyclohexylphosphino)-2,6-dimethoxybiphenyl-3-sulphonate, sodium 2'-dicyclohexylphosphino-2,6-dimethoxy-1,1'-biphenyl-3-sulphonate hydrate, sodium 2'-dicyclohexylphosphino-2,6-dimethoxy-1,1-biphenyl-3-sulfonate hydrate, Sodium2'-dicyclohexylphosphino-2,6-dimethoxy-1,1'-biphenyl-3-sulfonatehydrate, [1,1 inverted exclamation marka-Biphenyl]-3-sulfonic acid, 2 inverted exclamation marka-(dicyclohexylphosphino)-2,6-dimethoxy- sodium salt, [1,1'-BIPHENYL]-3-SULFONIC ACID, 2'-(DICYCLOHEXYLPHOSPHINO)-2,6-DIMETHOXY-SODIUM SALT HYDRATE, Sodium 2 inverted exclamation marka-dicyclohexylphosphino-2,6-dimethoxy-1,1 inverted exclamation marka-biphenyl-3-sulfonate hydrate, Sodium 2'-(dicyclohexylphosphanyl)-2,6-dimethoxy[1,1'-biphenyl]-3-sulfonate--water (1/1/1), (water soluble SPhos), ACN-040514, 2'-Dicyclohexylphosphino-2,6-dimethoxy-3-sulfonato-1,1' Cbiphenyl hydrate sodium salt, 2'-(Dicyclohexylphosphino)-2,6-dimethoxy-[1,1'-biphenyl]-3-sulfonic acid sodium salt hydrate (1:1:1),

Complexity	687
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	530.187g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	530.592g/mol
Monoisotopic Mass	530.187g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	85A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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