Cas no 36566-49-1 (D-Mannitol,2,5-O-methylene- (9CI))
36566-49-1 structure
Product Name:D-Mannitol,2,5-O-methylene- (9CI)
D-Mannitol,2,5-O-methylene- (9CI) Chemical and Physical Properties
Names and Identifiers
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- D-Mannitol,2,5-O-methylene- (9CI)
- 4,7-bis(hydroxymethyl)-1,3-dioxepane-5,6-diol
- (4R)-4r,7t-Bis-hydroxymethyl-[1,3]dioxepan-5t,6c-diol
- (4R)-4r,7t-bis-hydroxymethyl-[1,3]dioxepane-5t,6c-diol
- (4R,5R,6R,7R)-4,7-bis(hydroxymethyl)-1,3-dioxepane-5,6-diol
- (4R,5S,6S,7R)-5,6-Dihydroxy-1,3-dioxepane-4,7-dimethanol
- 2,5-O-Methylen-D-mannitol
- 2,5-O-methylene-D-mannitol
- 2.5-O-Methylen-D-glucit
- 2.5-O-Methylen-D-mannit
- 2-O,5-O-Methylene-D-mannitol
- Einecs 253-108-7
- 2,5-O-methyl-ene-d-mannitol
- NSC 226054
- (4R,5S,6S,7R)-4,7-bis(hydroxymethyl)-1,3-dioxepane-5,6-diol
- NS00057475
- 36566-49-1
- SCHEMBL987627
- AKOS006237374
-
- Inchi： 1S/C7H14O6/c8-1-4-6(10)7(11)5(2-9)13-3-12-4/h4-11H,1-3H2/t4-,5-,6-,7-/m1/s1
- InChI Key： DBGKIDGPXZLFEC-DBRKOABJSA-N
- SMILES： O1CO[C@H](CO)[C@H]([C@@H]([C@H]1CO)O)O
Computed Properties
- Exact Mass: 194.07902
- Monoisotopic Mass: 194.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 136
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 99.4A^2
- XLogP3: -1.6
Experimental Properties
- Density: 1.413
- Melting Point: 174-175?°C
- Boiling Point: 438.1°Cat760mmHg
- Flash Point: 218.7°C
- Refractive Index: 1.522
- PSA: 99.38
- LogP: -2.56570
D-Mannitol,2,5-O-methylene- (9CI) Related Literature
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1. Conformational studies on 1,3-dioxepans. Part II. 1,3:2,5:4,6-Tri-O-ethylidene-D-mannitol and some related compoundsT. B. Grindley,J. F. Stoddart,W. A. Szarek J. Chem. Soc. B 1969 623
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2. Conformational studies on 1,3-dioxepans. Part III. 2,5-O-methylene-D-mannitol and some related compoundsJ. F. Stoddart,W. A. Szarek J. Chem. Soc. B 1971 437
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3. trans-Fused crown ethers from 2,5-O-methylene-D-mannitol: synthesis, X-ray diffraction structure and full nuclear magnetic resonance spectroscopic data of 1,6-diazido-1,6-dideoxy-2,5-O-methylene-3,4-O-naphthalene-2,3-diylbis(oxyethyleneoxyethylene)-D-mannitol and 3,4-di-O-acetyl-1,6-diazido-1,6-dideoxy-2,5-O-methylene-D-mannitolMostafa Nazhaoui,Jean-Pierre A. Joly,Bertrand J. Jean-Claude,Valerio Del Duca,André Aubry,Mohammed Boubouh J. Chem. Soc. Perkin Trans. 1 1995 2919
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4. 1,6-Dideoxy-D-mannitol-based 20-crown-6 ethers: synthesis and influence of the substituents upon complexing properties toward phenylglycinium methyl estersMostafa Nazhaoui,Jean-Pierre Joly,Sa?d Kitane,Mohamed Berrada J. Chem. Soc. Perkin Trans. 1 1998 3845
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5. A possible model for a new chiral glyceride synthesis. Part 2. Synthesis of 1,3-di-O-aroyl- and 1-O-aroyl-3-O-tosyl-sn-glycerols from 2,5-O-methylene-D-mannitolClaude Morpain,Evelyne Fousseret-Dodane,Madeleine Tisserand J. Chem. Soc. Perkin Trans. 1 1980 1
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