Topiramate Impurity 16

CAT: 1299-RM-T150116-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T150116-01Size:10 mg

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CAS Number

25018-67-1

Synonyms

(3a'R,4S,7'S,7a'S) -2,2,2',2'-tetramethyltetrahydrospiro[[1,3]dioxolane-4,6'-[1,3]dioxolo[4,5-c]pyran]-7'-ol

Molecular Formula

C12H20O6

Molecular Weight

260.29

Target Alternative Name

Topiramate

Product Name Synonym

(3a'R,4S,7'S,7a'S) -2,2,2',2'-tetramethyltetrahydrospiro[[1,3]dioxolane-4,6'-[1,3]dioxolo[4,5-c]pyran]-7'-ol

Chemical Information

1,2:4,5-Di-O-isopropylidene-beta-D-fructopyranose

CAS Number	25018-67-1
PubChem CID	10467781
IUPAC Name	(3'aR,4S,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
Molecular Formula	C12H20O6
Molecular Weight	260.28
XLogP	-0.3
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Heavy Atom Count	18
Formal Charge	0
Complexity	354

SMILES

CC1(OC[C@]2(O1)[C@H]([C@H]3[C@@H](CO2)OC(O3)(C)C)O)C

InChI

InChI=1S/C12H20O6/c1-10(2)15-6-12(18-10)9(13)8-7(5-14-12)16-11(3,4)17-8/h7-9,13H,5-6H2,1-4H3/t7-,8-,9+,12+/m1/s1

InChIKey

NFHXOQDPQIQPKT-XBWDGYHZSA-N

Chemical Structure

2D Structure

CAS: 25018-67-1

CID: 10467781

Formula: C12H20O6

MW: 260.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	260.28
XLogP3	-0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	260.12598835
Monoisotopic Mass	260.12598835
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	354
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes