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1. Introduction of 4-Morpholinepropanesulfonicacid, b-hydroxy-
The 4-Morpholinepropanesulfonicacid, b-hydroxy-, with its CAS NO 68399-77-9, is a kind of white crystalline powder. It has synonyms of 3-(N-Morpholino)-2-hydroxypropanesulfonic acid and MOPSO.
2. Properties of 4-Morpholinepropanesulfonicacid, b-hydroxy-
Molecular Weight 225.2627 [g/mol]
Molecular Formula C7H15NO5S
XLogP3-AA -4.1
H-Bond Donor 2
H-Bond Acceptor 6
Rotatable Bond Count 4
Exact Mass 225.067094
MonoIsotopic Mass 225.067094
Topological Polar Surface Area 95.4
Heavy Atom Count 14
Complexity 254
Covalently-Bonded Unit Count 1
Feature 3D Acceptor Count 5
Feature 3D Donor Count 1
Feature 3D Anion Count 1
Feature 3D Cation Count 1
Feature 3D Ring Count 1
Effective Rotor Count 5.2
Conformer Sampling RMSD 0.6
CID Conformer Count 22
3. Structure descriptors of 4-Morpholinepropanesulfonicacid, b-hydroxy-
IUPAC Name: 2-hydroxy-3-morpholin-4-ylpropane-1-sulfonic acid
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)
InChIKey: NUFBIAUZAMHTSP-UHFFFAOYSA-N
Canonical SMILES : C1COCCN1CC(CS(=O)(=O)O)O
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