sodium 2'-(dicyclohexylphosphanyl)-2,6-diisopropyl-[1,1'-biphenyl]-4-sulfonate hydrate

sodium 2'-(dicyclohexylphosphanyl)-2,6-diisopropyl-[1,1'-biphenyl]-4-sulfonate hydrate

CAS: 870245-84-4

Formula: C30H44NaO4PS

SMILES: O.[Na+].CC(C)C1=CC(=CC(C(C)C)=C1C1=CC=CC=C1P(C1CCCCC1)C1CCCCC1)S([O-])(=O)=O

IUPAC: sodium 2'-(dicyclohexylphosphanyl)-2,6-bis(propan-2-yl)-[1,1'-biphenyl]-4-sulfonate hydrate

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

Composition: C (64.96%), H (8.00%), Na (4.14%), O (11.54%), P (5.58%), S (5.78%)

Molar Mass: 554.7

Atom Count: 81

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	554.25956235
Formal Charge	0
FSP3	0.6
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	JMGIRGSNIJFBDI-UHFFFAOYSA-M
Lipinski's Rule of Five
Molar Refractivity	147.02
Topological Polar Surface Area	57.2
Polarizability	60.04
Ring Count	4
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	870245-84-4		$655.72-$1,028.98$655.72$1,028.98