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2-Hydroxy-3-Morpholinopropanesulfonic Acid
CAS: 68399-77-9 | C7H15NO5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
68399-77-9
Molecular Formula:
C7H15NO5S
Molecular Mass:
225.27 g/mol
Names and Synonyms:
2-Hydroxy-3-Morpholinopropanesulfonic Acid
4-Morpholinepropanesulfonic acid, β-hydroxy-
β-Hydroxy-4-morpholinepropanesulfonic acid
3-(N-Morpholino)-2-hydroxypropanesulfonic acid
MOPSO
(±)-2-Hydroxy-3-morpholinopropanesulfonic acid
3-Morpholino-2-hydroxypropanesulfonic acid
3-(N-Morpholinyl)-2-hydroxypropanesulfonic acid
2-Hydroxy-3-morpholin-4-ylpropane-1-sulfonic acid
2-Hydroxy-3-morpholinopropanesulfonic acid
2-Hydroxy-3-morpholin-4-yl-propane-1-sulfonic acid
2-Hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid
Identifiers:
SMILES:
O=S(=O)(O)CC(O)CN1CCOCC1
InChI:
InChI=1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12)
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 | 225.27 g/mol | CAS Common Chemistry |
| 225.2659999999999 g/mol | RDKit | |
| 225.06709358 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Hydroxy-3-morpholinopropanesulfonic_acid | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(O)CC(O)CN1CCOCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=NUFBIAUZAMHTSP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | MOPSO | CAS Common Chemistry |
| 2-Hydroxy-3-morpholinopropanesulfonic acid | CAS Common Chemistry | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 87.07000000000001 Ų | RDKit |
| LogP | -1.432699999999999 | RDKit |
| Molar Refractivity | 49.68140000000003 | RDKit |
