Tris(2,4-dimethyl-5-sulfanatophenyl)phosphine trisodium salt

Product Information

Molecular Formula:
C24H26Na3O10PS3
Molecular Weight:
670.60
Description
Tris(2,4-dimethyl-5-sulfanatophenyl)phosphine trisodium salt is an imperative compound extensively employed in biomedicine and exhibits an indispensable functionality in the management of diverse maladies and states. As a catalyst in pharmaceutical research and development, this product remarkably facilitates the synthesis of groundbreaking medicaments. Moreover, its scope encompasses the amelioration of neurologic disorders, cardiovascular afflictions, along with select forms of malignancies.
Synonyms
TRIS(4,6-DIMETHYL-3-SULFONATOPHENYL)PHOSPHINE TRISODIUM SALT HYDRATE; MFCD05861614; SC11116; TRIS(2,4-DIMETHYL-5-SULFANATOPHENYL)PHOSPHINE TRISODIUM SALT; sodium 5,5',5''-phosphinetriyltris(2,4-dimethylbenzenesulfonate) hydrate; Tris(2,4-dimethyl-5-sulfanatophenyl)phosphine trisodium salt; Tris(2,4-dimethylphenyl)phosphine-5,5',5""-trisulfonic acid trisodium salt; tris(4,6-dimethyl-3-sulfonatophenyl)-phosphine trisodium salt hydrate
IUPAC Name
trisodium5-bis(2,4-dimethyl-5-sulfonatophenyl)phosphanyl-2,4-dimethylbenzenesulfonatehydrate
Canonical SMILES
CC1=CC(=C(C=C1P(C2=CC(=C(C=C2C)C)S(=O)(=O)[O-])C3=CC(=C(C=C3C)C)S(=O)(=O)[O-])S(=O)(=O)[O-])C.O.[Na+].[Na+].[Na+]
InChI
InChI=1S/C24H27O9PS3.3Na.H2O/c1-13-7-16(4)22(35(25,26)27)10-19(13)34(20-11-23(36(28,29)30)17(5)8-14(20)2)21-12-24(37(31,32)33)18(6)9-15(21)3/h7-12H,1-6H3,(H,25,26,27)(H,28,29,30)(H,31,32,33)1H2/q3*+1/p-3
InChI Key
LBWMFZIYNLEWAE-UHFFFAOYSA-K

Safety Information

Hazards
H315 - H319
Precautionary Statement
P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
3
Exact Mass
670.01188039 g/mol
Monoisotopic Mass
670.01188039 g/mol
Topological Polar Surface Area
198Ų
Heavy Atom Count
41
Formal Charge
0
Complexity
941
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
5
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2019222805-A1 New synthetic methods using native chemical ligation in flow 2018-05-22
AU-2019273119-A1 New synthetic methods using native chemical ligation in flow 2018-05-22
EP-3797115-A1 New synthetic methods using native chemical ligation in flow 2018-05-22
KR-20210029156-A Novel synthetic method using natural chemical ligation in influent 2018-05-22
JP-2021525259-A New flow synthesis method using native chemical ligation 2018-05-22
WO-2016029216-A2 Method for producing amidine derivatives 2014-08-22
EP-3140660-A1 Enzymatic determination of hba1c 2014-05-06
EP-3140660-B1 Enzymatic determination of hba1c 2014-05-06
EP-3140661-A2 Enzymatic determination of hba1c 2014-05-06
EP-3140661-B1 Enzymatic determination of hba1c 2014-05-06
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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