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Tofogliflozin 10mg

CAT: 0628-A12690-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A12690-10Size:10 mg
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CAS Number
903565-83-3

Chemical Information

Tofogliflozin

Tofogliflozin is a member of 2-benzofurans.

CAS Number903565-83-3
PubChem CID46908929
IUPAC Name(3S,3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
Molecular FormulaC22H26O6
Molecular Weight386.4
XLogP1.5
Topological Polar Surface Area99.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity521
SMILES
CCC1=CC=C(C=C1)CC2=CC3=C(CO[C@@]34[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C2
InChI
InChI=1S/C22H26O6/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22+/m1/s1
InChIKey
VWVKUNOPTJGDOB-BDHVOXNPSA-N
Chemical Structure
2D Structure
2D structure of Tofogliflozin
CAS: 903565-83-3
CID: 46908929
Formula: C22H26O6
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP31.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass386.17293854
Monoisotopic Mass386.17293854
Topological Polar Surface Area99.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity521
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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