Cas no 5055-06-1 ((2-hydroxy-3-methylsulfonyloxypropyl) methanesulfonate)
5055-06-1 structure
Product Name:(2-hydroxy-3-methylsulfonyloxypropyl) methanesulfonate
CAS No:5055-06-1
MF:C5H12O7S2
MW:248.274580001831
CID:381859
PubChem ID:253389
Update Time:2025-04-19
(2-hydroxy-3-methylsulfonyloxypropyl) methanesulfonate Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Propanetriol,1,3-dimethanesulfonate
- 2-hydroxypropane-1,3-diyl dimethanesulfonate
- AC1L5O16
- AC1Q6Y5J
- AG-K-66469
- AR-1E2759
- CTK4J2788
- Glycerol-1,3-bismethansulfonat
- NSC76303
- SCHEMBL2538118
- NSC-76303
- DTXSID10291528
- 5055-06-1
- (2-hydroxy-3-methylsulfonyloxypropyl) methanesulfonate
-
- Inchi： 1S/C5H12O7S2/c1-13(7,8)11-3-5(6)4-12-14(2,9)10/h5-6H,3-4H2,1-2H3
- InChI Key： IACVNURSTUDTFC-UHFFFAOYSA-N
- SMILES： S(C)(=O)(=O)OCC(COS(C)(=O)=O)O
Computed Properties
- Exact Mass: 248.00246
- Monoisotopic Mass: 248.002
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 307
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.5
- Topological Polar Surface Area: 124?2
Experimental Properties
- Density: 1.516
- Boiling Point: 545°Cat760mmHg
- Flash Point: 283.4°C
- Refractive Index: 1.495
- PSA: 106.97
- LogP: 0.46130
(2-hydroxy-3-methylsulfonyloxypropyl) methanesulfonate Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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