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Sucralose-d6

CAT: 0572-TRC-S692502-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S692502-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1459161-55-7
Synonyms
Trichlorosucrose-d6, 1,6-Dichloro-1,6-dideoxy-β-D-fructofuranosyl-4-chloro-4-deoxy
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
O[C@H]1[C@H](O)[C@@H](C([2H])([2H])Cl)O[C@]1(OC2[C@H](O)[C@@H](O)[C@@H](Cl)[C@@H](C([2H])([2H])O)O2)C([2H])([2H])Cl
Molecular Formula
C12H13D6Cl3O8
Molecular Weight
403.66
InChI
InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11?,12+/m1/s1/i1D2,2D2,3D2
Additionnal Information
IUPAC name: (3R,4R,5R,6R)-2-(((2R,3S,4S,5S)-2,5-bis(chloromethyl-d2)-3,4-dihydroxytetrahydrofuran-2-yl)oxy)-5-chloro-6-(hydroxymethyl-d2)tetrahydro-2H-pyran-3,4-diol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Sucralose-d6
CAS Number1459161-55-7
PubChem CID137699449
IUPAC Name(2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis[chloro(dideuterio)methyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-chloro-6-[dideuterio(hydroxy)methyl]oxane-3,4-diol
Molecular FormulaC12H19Cl3O8
Molecular Weight403.7
XLogP-1.5
Topological Polar Surface Area129
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity405
SMILES
[2H]C([2H])([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)C([2H])([2H])Cl)O)O)C([2H])([2H])Cl)O)O)Cl)O
InChI
InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1/i1D2,2D2,3D2
InChIKey
BAQAVOSOZGMPRM-GCUTWYSWSA-N
Chemical Structure
2D Structure
2D structure of Sucralose-d6
CAS: 1459161-55-7
CID: 137699449
Formula: C12H19Cl3O8
MW: 403.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.7
XLogP3-1.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass402.052211
Monoisotopic Mass402.052211
Topological Polar Surface Area129 Ų
Heavy Atom Count23
Formal Charge0
Complexity405
Isotope Atom Count6
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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