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1,5-Dihydroxyempagliflozin

CAT: 0572-TRC-D452715-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D452715-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1620758-34-0
Hazard Statement
Suspected of damaging fertility or the unborn child
Purity
>95% (HPLC)
Smiles
O[C@@H]([C@H](O)[C@@H](O)C(O)C1=CC(CC2=CC=C(O[C@H]3CCOC3)C=C2)=C(Cl)C=C1)[C@H](O)CO
Molecular Formula
C23H29ClO8
Molecular Weight
468.92
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(1R,2S,3R,4R,5R)-1-(4-Chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)hexane-1,2,3,4,5,6-hexaol
CAS Number1620758-34-0
PubChem CID102362500
IUPAC Name(1R,2S,3R,4R,5R)-1-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]hexane-1,2,3,4,5,6-hexol
Molecular FormulaC23H29ClO8
Molecular Weight468.9
XLogP0.5
Topological Polar Surface Area140
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity546
SMILES
C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)Cl
InChI
InChI=1S/C23H29ClO8/c24-18-6-3-14(20(27)22(29)23(30)21(28)19(26)11-25)10-15(18)9-13-1-4-16(5-2-13)32-17-7-8-31-12-17/h1-6,10,17,19-23,25-30H,7-9,11-12H2/t17-,19+,20+,21+,22-,23-/m0/s1
InChIKey
RKDDAJYLEWTGMU-PNZPLEPNSA-N
Chemical Structure
2D Structure
2D structure of (1R,2S,3R,4R,5R)-1-(4-Chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)hexane-1,2,3,4,5,6-hexaol
CAS: 1620758-34-0
CID: 102362500
Formula: C23H29ClO8
MW: 468.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.9
XLogP30.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass468.1550956
Monoisotopic Mass468.1550956
Topological Polar Surface Area140 Ų
Heavy Atom Count32
Formal Charge0
Complexity546
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
412639(1R) -1,5-Dihydroxyempagliflozin
412640(1R) -1,5-Dihydroxyempagliflozin-d4
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PC450178-011,1,1,5,5,5-Hexafluoropentane
sc-222759A1,1,1,3,5,5,5-Heptamethyltrisiloxane
H013851 1 1 3 5 5 5-Heptamethyltrisiloxane
PC38061,1,1,3,5,5,5-Heptafluoroacetylacetone dihydrate
HY-W013518R1,1,1,3,5,5,5-Heptamethyltrisiloxane (Standard)
sc-258879A1,1,1,5,5,5-Hexafluoro-3-azapentane
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