CAS 68399-77-9|2-hydroxy-3-morpholinopropane-1-sulfonic acid|2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid|β-Hydroxy-4-morpholinepropanesulfonic acid|MOPSO|3-[N-Morpholino]-2-hydroxypropa...

General Information

Structure

Molecular Formula

C₇H₁₅NO₅S

Molecular Mass

225.2627

Exact Mass

225.06709359

Charge

InChI

InChI=1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12)

InChIKey

NUFBIAUZAMHTSP-UHFFFAOYSA-N

Canonic Smiles

OC(CS(=O)(=O)O)CN1CCOCC1

Isomeric Smiles

OC(CN1CCOCC1)CS(=O)(=O)O

Calculated Properties

JChem

Acid pKa

-1.0794966

H Acceptors

H Donor

LogD (pH = 5.5)

-3.1533294

LogD (pH = 7.4)

-3.771829

Log P

-3.116327

Molar Refractivity

49.7114

Polarizability

20.542688

Polar Surface Area

87.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2-hydroxy-3-morpholinopropane-1-sulfonic acidMOPSOβ-Hydroxy-4-morpholinepropanesulfonic acid3-[N-Morpholino]-2-hydroxypropane sulfonic acidβ-羟基-4-吗啉丙磺酸3-Morpholino-2-hydroxypropanesulfonic acidβ-Hydroxy-4-morpholinepropanesulfonic acidMOPSO3-吗啉-2-羟基丙磺酸2-Hydroxy-3-morpholinopropanesulfonic acid3-(4-Morpholino)-2-hydroxypropanesulfonic acidbeta-Hydroxy-4-morpholineproanesulfonic acid3-(4-吗啉基)-2-羟基丙烷磺酸

IUPAC Traditional name

2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid

IUPAC name

2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid

Names and Identifiers

Registration numbers

EC Number

269-989-6

CAS Number

68399-77-9

PubChem CID

109333