CAS 100037-69-2|trisodium 2-[4-(2-sulfoethyl)piperazin-1-yl]ethane-1-sulfonate 2-[4-(2-sulfonatoethyl)piperazin-1-yl]ethane-1-sulfonate|tripotassium 2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonate...

General Information

Structure

Molecular Formula

C₁₆H₃₃N₄Na₃O₁₂S₄

Molecular Mass

670.68213

Exact Mass

670.06708936

Charge

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

InChIKey

FPDACHMSOMILQI-UHFFFAOYSA-K

Canonic Smiles

[O-]S(=O)(=O)CCN1CCN(CC1)CCS(=O)(=O)[O-].[O-]S(=O)(=O)CCN1CCN(CC1)CCS(=O)(=O)O.[Na+].[Na+].[Na+]

Isomeric Smiles

[Na+].[Na+].[Na+].OS(=O)(=O)CCN1CCN(CC1)CCS(=O)(=O)[O-].[O-]S(=O)(=O)CCN1CCN(CC1)CCS(=O)(=O)[O-]

Calculated Properties

JChem

Acid pKa

-1.7776884

H Acceptors

H Donor

LogD (pH = 5.5)

-5.7796354

LogD (pH = 7.4)

-6.0082097

Log P

-4.8887243

Molar Refractivity

63.1674

Polarizability

27.05408

Polar Surface Area

120.88

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

trisodium 2-[4-(2-sulfoethyl)piperazin-1-yl]ethane-1-sulfonate 2-[4-(2-sulfonatoethyl)piperazin-1-yl]ethane-1-sulfonate

IUPAC Traditional name

tripotassium 2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonate 2-[4-(2-sulfonatoethyl)piperazin-1-yl]ethanesulfonate trisodium 2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonate 2-[4-(2-sulfonatoethyl)piperazin-1-yl]ethanesulfonate

Synonyms

Piperazine-1,4-bis(2-ethanesulfonic acid) sesquisodium saltPIPES1,4-Piperazinediethanesulfonic acid sesquisodium salt哌嗪-1,4-双(2-乙磺酸) 倍半钠盐PIPES 倍半钠盐1,4-哌嗪二乙磺酸倍半钠盐PIPES sesquisodium saltPIPES sesquisodium salt

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties