Home Sulfos Sodium 1,1'-(piperazine-1,4-diyl)diethanesulfonate 1-(4-(1-sulfoethyl)piperazin-1-yl)ethanesulfonate(3:2)

Sodium 1,1'-(piperazine-1,4-diyl)diethanesulfonate 1-(4-(1-sulfoethyl)piperazin-1-yl)ethanesulfonate(3:2)

CAS No.:
100037-69-2
Catalog Number:
AG0000MG
Molecular Formula:
C16H33N4Na3O12S4
Molecular Weight:
670.6821
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
99%(HPLC)
In Stock USA
United States
$39
- +
25g
99%(HPLC)
In Stock USA
United States
$57
- +
100g
99%(HPLC)
In Stock USA
United States
$112
- +
Product Description
Catalog Number:
AG0000MG
Chemical Name:
Sodium 1,1'-(piperazine-1,4-diyl)diethanesulfonate 1-(4-(1-sulfoethyl)piperazin-1-yl)ethanesulfonate(3:2)
CAS Number:
100037-69-2
Molecular Formula:
C16H33N4Na3O12S4
Molecular Weight:
670.6821
MDL Number:
MFCD00066393
IUPAC Name:
trisodium;2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonate;2-[4-(2-sulfonatoethyl)piperazin-1-yl]ethanesulfonate
InChI:
InChI=1S/2C8H18N2O6S2.3Na/c2*11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16;;;/h2*1-8H2,(H,11,12,13)(H,14,15,16);;;/q;;3*+1/p-3
InChI Key:
FPDACHMSOMILQI-UHFFFAOYSA-K
SMILES:
[O-]S(=O)(=O)CCN1CCN(CC1)CCS(=O)(=O)[O-].[O-]S(=O)(=O)CCN1CCN(CC1)CCS(=O)(=O)O.[Na+].[Na+].[Na+]
EC Number:
600-018-4
Properties
Complexity:
798  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
670.067g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
16  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
670.665g/mol
Monoisotopic Mass:
670.067g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
272A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties