3-[N-Tris(hydroxymethyl)methylamino]-2-hydroxypropanesulfonic acid sodium salt

C₇H₁₆NNaO₇SCAS 105140-25-8281.25 g/mol

Open in Covalent MOL file

Alcohol Secondary amine Sulfonic acid

Properties

Molecular formula: C₇H₁₆NNaO₇S
Molar mass: 281.25 g/mol
Exact mass: 281.0545 Da
logP: -6.80Crippen estimate
Polar surface area: 150.2 Å²
H-bond donors / acceptors: 5 / 8
Rotatable bonds: 8

Identifiers

CAS number

105140-25-8

SMILES

C(C(CS(=O)(=O)[O-])O)NC(CO)(CO)CO.[Na+]

InChIKey

XRADYQRMWVBZEH-UHFFFAOYSA-M

InChI

InChI=1S/C7H17NO7S.Na/c9-3-7(4-10,5-11)8-1-6(12)2-16(13,14)15;/h6,8-12H,1-5H2,(H,13,14,15);/q;+1/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Sodium 3-((1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)-2-hydroxypropane-1-sulfonate

Work with 3-[N-Tris(hydroxymethyl)methylamino]-2-hydroxypropanesulfonic acid sodium salt

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ampso sodium salt102029-60-773 % similar Tapso68399-81-559 % similar Ethanesulfonic acid, 2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-, sodium salt (1:1)70331-82-756 % similar 1-Propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, sodium salt (1:1)102601-34-355 % similar Sodium 1-chloro-2-hydroxypropane-3-sulfonate126-83-051 % similar 3-[N,N-Bis(hydroxyethyl)amino]-2-hydroxypropanesulphonic acid sodium salt102783-62-048 % similar Sodium 3-allyloxy-2-hydroxy-1-propanesulfonate52556-42-043 % similar Ampso68399-79-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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