Ampso sodium salt

C₇H₁₆NNaO₅SCAS 102029-60-7249.26 g/mol

Properties

Molecular formula: C₇H₁₆NNaO₅S
Molar mass: 249.26 g/mol
Exact mass: 249.0647 Da
logP: -4.74Crippen estimate
Polar surface area: 109.7 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 6

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

102029-60-7

SMILES

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

InChIKey

UVGYCHPTWHWEPZ-UHFFFAOYSA-M

InChI

InChI=1S/C7H17NO5S.Na/c1-7(2,5-9)8-3-6(10)4-14(11,12)13;/h6,8-10H,3-5H2,1-2H3,(H,11,12,13);/q;+1/p-1

Weigh it out

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

Work with Ampso 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

AMPSO68399-79-1Free acid

Similar compounds

3-[N-Tris(hydroxymethyl)methylamino]-2-hydroxypropanesulfonic acid sodium salt105140-25-873 % similar 1-Propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, sodium salt (1:1)102601-34-351 % similar Sodium 1-chloro-2-hydroxypropane-3-sulfonate126-83-048 % similar N-(2-Hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt82692-88-445 % similar 3-[N,N-Bis(hydroxyethyl)amino]-2-hydroxypropanesulphonic acid sodium salt102783-62-045 % similar Ethanesulfonic acid, 2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-, sodium salt (1:1)70331-82-742 % similar TAPSO68399-81-541 % similar Mopso sodium salt79803-73-941 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook