Topiramate Impurity 19

CAT: 1299-RM-T150119-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T150119-01Size:10 mg

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CAS Number

18549-40-1

Synonyms

(R) -1- ((3aR,5R,6S,6aR) -6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl) ethane-1,2-diol

Molecular Formula

C9H16O6

Molecular Weight

220.22

Target Alternative Name

Topiramate

Product Name Synonym

(R) -1- ((3aR,5R,6S,6aR) -6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl) ethane-1,2-diol

Chemical Information

1,2-O-Isopropylidene-alpha-D-glucofuranose

RN given refers to (alpha-D)-isomer

CAS Number	18549-40-1
PubChem CID	87704
IUPAC Name	(1R)-1-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
Molecular Formula	C9H16O6
Molecular Weight	220.22
XLogP	-0.3
Topological Polar Surface Area	88.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	243

SMILES

CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H](CO)O)O)C

InChI

InChI=1S/C9H16O6/c1-9(2)14-7-5(12)6(4(11)3-10)13-8(7)15-9/h4-8,10-12H,3H2,1-2H3/t4-,5+,6-,7-,8-/m1/s1

InChIKey

BGGCXQKYCBBHAH-OZRXBMAMSA-N

Chemical Structure

2D Structure

CAS: 18549-40-1

CID: 87704

Formula: C9H16O6

MW: 220.22

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	220.22
XLogP3	-0.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	220.09468823
Monoisotopic Mass	220.09468823
Topological Polar Surface Area	88.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	243
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes