N-(Tris(hydroxymethyl)methyl)-3-amino-2-hydroxypropanesulfonic acid

CAS 68399-81-5  ·  C7H17NO7S  ·  MW 259.28 g/mol

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3D model N-(Tris(hydroxymethyl)methyl)-3-amino-2-hydroxypropanesulfonic acid, CAS 68399-81-5, molecular formula C7H17NO7S, molar mass 259.28 g/mol
About N-(Tris(hydroxymethyl)methyl)-3-amino-2-hydroxypropanesulfonic acid

N-(Tris(hydroxymethyl)methyl)-3-amino-2-hydroxypropanesulfonic acid is a chemical compound registered under number CAS 68399-81-5, with the molecular formula C7H17NO7S, and a molar mass of 259.28 g/mol.

The molecule contains 33 atoms connected by 32 chemical bonds. The full systematic IUPAC name of this compound is 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-hydroxypropane-1-sulfonic acid. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = -6.4 (negative value, a hydrophilic compound), polar surface area PSA = 156 Ų, 6 donors and 8 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC7H17NO7S
Masa molowa259.28 g/mol
IUPAC3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-hydroxypropane-1-sulfonic acid
SMILESC(C(CS(=O)(=O)O)O)NC(CO)(CO)CO
InChIKeyRZQXOGQSPBYUKH-UHFFFAOYSA-N
logP (XLogP3)-6.4
PSA156 Ų
HBD / HBA6 / 8
PubChem CIDCID 109334 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

20 articles · 2 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (20 articles)

1937: 3 articles19371965: 1 articles1984: 1 articles2008: 2 articles2011: 2 articles20112019: 2 articles2020: 1 articles2021: 2 articles2025: 1 articles2025

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(2011) · Musing
Cytowania: 2$ PaywallDOI ↗

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
TAPSO · 68399-81-5 · N-[Tris(hydroxymethyl)methyl]-3-amino-2-hydroxypropanesulfonic acid · EINECS 269-993-8 · 45Q4J0071U · NSC 610929 · N-(Tris(hydroxymethyl)methyl)-3-amino-2-hydroxypropanesulfonic acid · TAPSO [MI] · NSC-610929 · 1-Propanesulfonic acid, 2-hydroxy-3-((2-hydroxy-1,1-bis(hydroxymethyl)ethyl)amino)- · 3-N-(2-Hydroxy-1,1-bis(hydroxymethyl)ethylamino)-2-hydroxypropanesulfonic acid · 2-Hydroxy-3-((2-hydroxy-1,1-bis(hydroxymethyl)ethyl)amino)propanesulphonic acid · 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
Data sources
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N-(Tris(hydroxymethyl)methyl)-3-amino-2-hydroxypropanesulfonic acid · 68399-81-5
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Source data
PubChem CID 109334 ↗
SHA-256 (STL)
deff130efd0c51f0dab057e0c4f2bf71ee3d7957c480609ef020bba60f814625
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