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Tes (Buffer)
CAS: 7365-44-8 | C6H15NO6S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7365-44-8
Molecular Formula:
C6H15NO6S
Molecular Mass:
229.25 g/mol
Names and Synonyms:
Tes (Buffer)
Ethanesulfonic acid, 2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-
Taurine, N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-
2-[[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]ethanesulfonic acid
TES
N-[Tris(hydroxymethyl)methyl]aminoethanesulfonic acid
2-[[Tris(hydroxymethyl)methyl]amino]ethanesulfonic acid
N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid
TES (buffering agent)
2-[[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethane-1-sulfonic acid
2-[[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethanesulfonic acid
Identifiers:
SMILES:
O=S(=O)(O)CCNC(CO)(CO)CO
InChI:
InChI=1S/C6H15NO6S/c8-3-6(4-9,5-10)7-1-2-14(11,12)13/h7-10H,1-5H2,(H,11,12,13)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 229.25 g/mol | CAS Common Chemistry |
| 229.25399999999996 g/mol | RDKit | |
| 229.0620082 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/TES_(buffer) | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(O)CCNC(CO)(CO)CO | CAS Common Chemistry |
| InChI | InChI=1S/C6H15NO6S/c8-3-6(4-9,5-10)7-1-2-14(11,12)13/h7-10H,1-5H2,(H,11,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=JOCBASBOOFNAJA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid | CAS Common Chemistry |
| TES (buffer) | CAS Common Chemistry | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 127.09000000000002 Ų | RDKit |
| LogP | -2.8204999999999987 | RDKit |
| Molar Refractivity | 48.40670000000003 | RDKit |
