chempirical

Tapso

C7H17NO7SCAS 68399-81-5259.27 g/mol

Open in Covalent MOL file
OSOHOOHNHHOHOOH
AlcoholSecondary amineSulfonic acid

Properties

Molecular formula
C7H17NO7S
Molar mass
259.27 g/mol
Exact mass
259.0726 Da
Density
1.0761 g/mL (at 25 °C)
logP
-3.46Crippen estimate
Polar surface area
147.3 Ų
H-bond donors / acceptors
6 / 7
Rotatable bonds
8

Identifiers

CAS number
68399-81-5
SMILES
O=S(=O)(O)CC(O)CNC(CO)(CO)CO
InChIKey
RZQXOGQSPBYUKH-UHFFFAOYSA-N
InChI
InChI=1S/C7H17NO7S/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)

Weigh it out

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

Names and synonyms

5 names
  • 1-Propanesulfonic acid, 2-hydroxy-3-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-
  • 2-Hydroxy-3-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-1-propanesulfonic acid
  • 3-[N-[Tris(hydroxymethyl)methyl]amino]-2-hydroxypropanesulfonic acid
  • 2-Hydroxy-3-[tris(hydroxymethyl)methylamino]-1-propanesulfonic acid
  • 3-[[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-hydroxypropane-1-sulfonic acid

Work with Tapso

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

Ampso68399-79-169 % similar 3-[N-Tris(hydroxymethyl)methylamino]-2-hydroxypropanesulfonic acid sodium salt105140-25-859 % similar Tes (buffer)7365-44-851 % similar Capso73463-39-550 % similar Taps (buffer)29915-38-649 % similar Piperazine-N,N′-bis(2-hydroxypropanesulfonic acid)68189-43-543 % similar 3-[Bis(2-hydroxyethyl)amino]-2-hydroxypropanesulfonic acid68399-80-443 % similar Ampso sodium salt102029-60-741 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia