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(+) -Muscarine Iodide

CAT: 1596-AR-M05245-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M05245-01Size:10 Units
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CAS Number
24570-49-8
Synonyms
1- ((2S,4R,5S) -4-hydroxy-5-methyltetrahydrofuran-2-yl) -N, N, N-trimethylmethanaminium, iodide (1:1)
Molecular Formula
C9H20NO2. I
Molecular Weight
174.26 126.91
API Name
Muscarine

Chemical Information

2,5-Anhydro-1,3,6-trideoxy-1-(trimethylazaniumyl)hexitol iodide

See also: Muscarine (annotation moved to) ... View More ...

CAS Number24570-49-8
PubChem CID102226
IUPAC Name[(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium iodide
Molecular FormulaC9H20INO2
Molecular Weight301.17
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity153
SMILES
C[C@H]1[C@@H](C[C@H](O1)C[N+](C)(C)C)O.[I-]
InChI
InChI=1S/C9H20NO2.HI/c1-7-9(11)5-8(12-7)6-10(2,3)4;/h7-9,11H,5-6H2,1-4H3;1H/q+1;/p-1/t7-,8-,9+;/m0./s1
InChIKey
PMFYONXEPDMBPE-CTERPIQNSA-M
Chemical Structure
2D Structure
2D structure of 2,5-Anhydro-1,3,6-trideoxy-1-(trimethylazaniumyl)hexitol iodide
CAS: 24570-49-8
CID: 102226
Formula: C9H20INO2
MW: 301.17
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight301.17
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass301.05388
Monoisotopic Mass301.05388
Topological Polar Surface Area29.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity153
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes