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Topiramate Impurity 17

CAT: 1299-RM-T150117-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T150117-01Size:10 mg
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CAS Number
76549-76-3
Synonyms
(5S,7R,8S,9S) -7- (hydroxymethyl) -2,2-dimethyl-1,3,6-trioxaspiro[4.4]nonane-8,9-diol
Molecular Formula
C9H16O6
Molecular Weight
220.22
Target Alternative Name
Topiramate
Product Name Synonym
(5S,7R,8S,9S) -7- (hydroxymethyl) -2,2-dimethyl-1,3,6-trioxaspiro[4.4]nonane-8,9-diol

Chemical Information

1,2-O-Isopropylidene-beta-D-fructofuranose
CAS Number76549-76-3
PubChem CID11183596
IUPAC Name(5S,7R,8S,9S)-7-(hydroxymethyl)-2,2-dimethyl-1,3,6-trioxaspiro[4.4]nonane-8,9-diol
Molecular FormulaC9H16O6
Molecular Weight220.22
XLogP-1.3
Topological Polar Surface Area88.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity255
SMILES
CC1(OC[C@]2(O1)[C@H]([C@@H]([C@H](O2)CO)O)O)C
InChI
InChI=1S/C9H16O6/c1-8(2)13-4-9(15-8)7(12)6(11)5(3-10)14-9/h5-7,10-12H,3-4H2,1-2H3/t5-,6-,7+,9+/m1/s1
InChIKey
FRQMMDYYPZUBHX-JAKMQLQISA-N
Chemical Structure
2D Structure
2D structure of 1,2-O-Isopropylidene-beta-D-fructofuranose
CAS: 76549-76-3
CID: 11183596
Formula: C9H16O6
MW: 220.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.22
XLogP3-1.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass220.09468823
Monoisotopic Mass220.09468823
Topological Polar Surface Area88.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity255
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

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