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Topiramate EP Impurity A

CAT: 1299-RM-T150105-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T150105-01Size:10 mg
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CAS Number
20880-92-6
Synonyms
((3aS,5aR,8aR,8bS) -2,2,7,7-tetramethyltetrahydro-3aH-bis ([1,3]dioxolo) [4,5-b:4',5'-d]pyran-3a-yl) methanol
Molecular Formula
C12H20O6
Molecular Weight
260.28
Target Alternative Name
Topiramate
Product Name Synonym
((3aS,5aR,8aR,8bS) -2,2,7,7-tetramethyltetrahydro-3aH-bis ([1,3]dioxolo) [4,5-b:4',5'-d]pyran-3a-yl) methanol

Chemical Information

2,3:4,5-Di-o-isopropylidene-beta-D-fructopyranose

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CAS Number20880-92-6
PubChem CID10244345
IUPAC Name[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methanol
Molecular FormulaC12H20O6
Molecular Weight260.28
XLogP-0.3
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity354
SMILES
CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CO)C
InChI
InChI=1S/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8-,9+,12+/m1/s1
InChIKey
PSSHGMIAIUYOJF-XBWDGYHZSA-N
Chemical Structure
2D Structure
2D structure of 2,3:4,5-Di-o-isopropylidene-beta-D-fructopyranose
CAS: 20880-92-6
CID: 10244345
Formula: C12H20O6
MW: 260.28
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight260.28
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass260.12598835
Monoisotopic Mass260.12598835
Topological Polar Surface Area66.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity354
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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