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Sucralose

CAT: 0926-OS04165-02Size: 0.5 KgDry Ice: NoHazardous: No
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CAT#:0926-OS04165-02Size:0.5 Kg
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CAS Number
56038-13-2
Synonyms
1,6-Dichloro-1,6-dideoxy-b-D-fructofuranosyl-4-chloro-4-deoxy-a-D-galactopyranoside
MDL Number
MFCD03648615
Smiles
C ([C@@H]1[C@@H] ([C@@H] ([C@H] ([C@H] (O1) O[C@]2 ([C@H] ([C@@H] ([C@H] (O2) CCl) O) O) CCl) O) O) Cl) O
Molecular Formula
C12H19Cl3O8
Molecular Weight
397.63 g/mol
Controlled
No

Chemical Information

Sucralose

Sucralose is a disaccharide derivative consisting of 4-chloro-4-deoxy-alpha-D-galactopyranose and 1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose units linked by a glycosidic bond. It has a role as a xenobiotic, a sweetening agent and an environmental contaminant. It is an organochlorine compound and a disaccharide derivative.

CAS Number56038-13-2
PubChem CID71485
IUPAC Name(2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-5-chloro-6-(hydroxymethyl)oxane-3,4-diol
Molecular FormulaC12H19Cl3O8
Molecular Weight397.6
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
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CCl)O)O)CCl)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
InChIKey
BAQAVOSOZGMPRM-QBMZZYIRSA-N
Chemical Structure
2D Structure
2D structure of Sucralose
CAS: 56038-13-2
CID: 71485
Formula: C12H19Cl3O8
MW: 397.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.6
XLogP3-1.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass396.014551
Monoisotopic Mass396.014551
Topological Polar Surface Area129 Ų
Heavy Atom Count23
Formal Charge0
Complexity405
Isotope Atom Count0
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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