Home Sulfos Piperazine-N,N'-bis(2-hydroxypropanesulfonic acid) sesquisodium salt

Piperazine-N,N'-bis(2-hydroxypropanesulfonic acid) sesquisodium salt

CAS No.:
108321-08-0
Catalog Number:
AG008R73
Molecular Formula:
C20H44N4Na3O16S4
Molecular Weight:
793.8099
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Product Description
Catalog Number:
AG008R73
Chemical Name:
Piperazine-N,N'-bis(2-hydroxypropanesulfonic acid) sesquisodium salt
CAS Number:
108321-08-0
Molecular Formula:
C20H44N4Na3O16S4
Molecular Weight:
793.8099
MDL Number:
MFCD00070004
IUPAC Name:
trisodium;2-hydroxy-3-[4-(2-hydroxy-3-sulfonatopropyl)piperazin-1-yl]propane-1-sulfonate;2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonate
InChI:
InChI=1S/2C10H22N2O8S2.3Na/c2*13-9(7-21(15,16)17)5-11-1-2-12(4-3-11)6-10(14)8-22(18,19)20;;;/h2*9-10,13-14H,1-8H2,(H,15,16,17)(H,18,19,20);;;/q;;3*+1/p-3
InChI Key:
OZLQPIXHRUVBEU-UHFFFAOYSA-K
SMILES:
OC(CS(=O)(=O)O)CN1CCN(CC1)CC(CS(=O)(=O)O)O.OC(CS(=O)(=O)O)CN1CCN(CC1)CC(CS(=O)(=O)O)O.[Na].[Na].[Na]
Properties
Complexity:
971  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
790.109g/mol
Formal Charge:
0
Heavy Atom Count:
47  
Hydrogen Bond Acceptor Count:
20  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
790.769g/mol
Monoisotopic Mass:
790.109g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
353A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
Properties