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1,6-Dimethanesulfonate-D-mannitol

CAT: 0572-TRC-D478945-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D478945-1GSize:1 g
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CAS Number
1187-00-4
Synonyms
1,6-Dimethanesulfonate-D-mannitol
Hazard Statement
No Data Available
Smiles
CS(=O)(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COS(=O)(=O)C
Molecular Formula
C8 H18 O10 S2
Molecular Weight
338.353
InChI
InChI=1S/C8H18O10S2/c1-19(13,14)17-3-5(9)7(11)8(12)6(10)4-18-20(2,15)16/h5-12H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1
Additionnal Information
IUPAC name: [(2R,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-methylsulfonyloxyhexyl] methanesulfonate
Shipping Conditions
Room Temperature

Chemical Information

Mannitol myleran

Mm has been used in trials studying the treatment of Cocaine Dependence and Diabetes Mellitus, Type 2.

CAS Number1187-00-4
PubChem CID142775
IUPAC Name[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-methylsulfonyloxyhexyl] methanesulfonate
Molecular FormulaC8H18O10S2
Molecular Weight338.4
XLogP-3.4
Topological Polar Surface Area184
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count20
Formal Charge0
Complexity426
SMILES
CS(=O)(=O)OC[C@H]([C@H]([C@@H]([C@@H](COS(=O)(=O)C)O)O)O)O
InChI
InChI=1S/C8H18O10S2/c1-19(13,14)17-3-5(9)7(11)8(12)6(10)4-18-20(2,15)16/h5-12H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKey
ODOISJJCWUVNDJ-WCTZXXKLSA-N
Chemical Structure
2D Structure
2D structure of Mannitol myleran
CAS: 1187-00-4
CID: 142775
Formula: C8H18O10S2
MW: 338.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight338.4
XLogP3-3.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass338.03413911
Monoisotopic Mass338.03413911
Topological Polar Surface Area184 Ų
Heavy Atom Count20
Formal Charge0
Complexity426
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes