2'-Dicyclohexylphosphino-2,6-di-i-propyl-4-sulfonato-1,1'-biphenylhydratesodiumsalt

Catalog Number	ACM870245844-1
CAS	870245-84-4
Structure
Synonyms	Sodium 2'-(dicyclohexylphosphino)-2,6-diisopropyl-[1,1'-biphenyl]-4-sulfonate hydrate; XPhos-SO3Na
IUPAC Name	sodium;4-(2-dicyclohexylphosphanylphenyl)-3,5-di(propan-2-yl)benzenesulfonate;hydrate
Molecular Weight	554.70
Molecular Formula	C30H44NaO4PS
InChI	JMGIRGSNIJFBDI-UHFFFAOYSA-M
InChI Key	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
Purity	98%
Appearance	Solid
Isomeric SMILES	CC(C)C1=CC(=CC(=C1C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)C)S(=O)(=O)[O-].O.[Na+]

Q&A

What is the name of 2'-Dicyclohexylphosphino-2,6-di-i-propyl-4-sulfonato-1,1'-biphenylhydratesodiumsalt?

Sodium 2'-(dicyclohexylphosphino)-2,6-diisopropyl-[1,1'-biphenyl]-4-sulfonate hydrate

What is the molecular weight of 2'-Dicyclohexylphosphino-2,6-di-i-propyl-4-sulfonato-1,1'-biphenylhydratesodiumsalt?

554.7g/mol

What is the InChIKey of 2'-Dicyclohexylphosphino-2,6-di-i-propyl-4-sulfonato-1,1'-biphenylhydratesodiumsalt?

JMGIRGSNIJFBDI-UHFFFAOYSA-M

How many heavy atoms are present in 2'-Dicyclohexylphosphino-2,6-di-i-propyl-4-sulfonato-1,1'-biphenylhydratesodiumsalt?

37

What is the canonical SMILES representation of 2'-Dicyclohexylphosphino-2,6-di-i-propyl-4-sulfonato-1,1'-biphenylhydratesodiumsalt?

CC(C)C1=CC(=CC(=C1C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)C)S(=O)(=O)[O-].O.[Na+]

What is the CAS number of 2'-Dicyclohexylphosphino-2,6-di-i-propyl-4-sulfonato-1,1'-biphenylhydratesodiumsalt?

870245-84-4

What is the IUPAC name of 2'-Dicyclohexylphosphino-2,6-di-i-propyl-4-sulfonato-1,1'-biphenylhydratesodiumsalt?

Sodium;4-(2-dicyclohexylphosphanylphenyl)-3,5-di(propan-2-yl)benzenesulfonate;hydrate

How many rotatable bonds are present in 2'-Dicyclohexylphosphino-2,6-di-i-propyl-4-sulfonato-1,1'-biphenylhydratesodiumsalt?

7

What is the exact mass of 2'-Dicyclohexylphosphino-2,6-di-i-propyl-4-sulfonato-1,1'-biphenylhydratesodiumsalt?

554.25956233

How many computed properties covalently bonded unit counts are there in 2'-Dicyclohexylphosphino-2,6-di-i-propyl-4-sulfonato-1,1'-biphenylhydratesodiumsalt?

3