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AA00608

100037-69-2 | Sodium 1,1'-(piperazine-1,4-diyl)diethanesulfonate 1-(4-(1-sulfoethyl)piperazin-1-yl)ethanesulfonate(3:2)

Packsize Purity Availability Price Discounted Price    Quantity
5g 99%(HPLC) In Stock US $42.00 $29.00 -   +
25g 99%(HPLC) In Stock US $60.00 $42.00 -   +
100g 99%(HPLC) In Stock US $96.00 $67.00 -   +

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*All prices are in USD.

Description
Catalog Number: AA00608
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
InChl: 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
InChl 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+]

 

Computed 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

 

 

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