(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

• ChemBase ID: 129642
• Molecular Formular: C12H19Cl3O8
• Molecular Mass: 397.63346
• Monoisotopic Mass: 396.01455061
• SMILES: Cl[C@H]1[C@H](O[C@H](O[C@@]2(O[C@@H]([C@@H](O)[C@@H]2O)CCl)CCl)[C@H](O)[C@H]1O)CO
• Canonical SMILES: ClC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CCl)O[C@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)Cl
• 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

NAMES AND DATABASE IDS

Names

• 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
• IUPAC Traditional name: splenda
• Synonyms: 1',4,6'-Trichlorogalactosucrose; Trichlorosucrose; E955, 4,1',6'-Trichloro-4,1',6'-trideoxygalactosucrose, TGS, Splenda; Sucralose; 1,6-Dichloro-1,6-dideoxy-β-D-fructofuranosyl-4-chloro-4-deoxy-α-D-galactopyranoside; E955; Sucralose

Database IDs

• CAS Number: 56038-13-2
• EC Number: 259-952-2
• MDL Number: MFCD03648615
• Beilstein Number: 3654410
• PubChem SID: 162223931
• PubChem CID: 71485
• Chemspider ID: 64561
• Unique Ingredient Identifier: 96K6UQ3ZD4
• Wikipedia Title: Sucralose
• E Number: E955

CALCULATED PROPERTIES

• Acid pKa: 11.90852
• H Acceptors: 8
• H Donor: 5
• LogD (pH = 5.5): -0.46505958
• LogD (pH = 7.4): -0.46507284
• Log P: -0.4650594
• Molar Refractivity: 77.9271 cm^3
• Polarizability: 32.654526 Å^3
• Polar Surface Area: 128.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 283 g/L (20°C) in water; Do you have solubility information on this product that you would like to share?
• Melting Point: 125°C
• Optical Rotation: [α]/D 86.0±2.0°, c = 1 in H2O
• Sweetness: 600 × sucrose

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (HPLC)
• Grade: analytical standard
• Shelf Life: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C12H19Cl3O8

DETAILS

Sigma Aldrich - 69293

Application
Do you have application information on this product that you would like to share?
Sucralose is a non-caloric sugar used as a sweetener that activates T1R2/T1R3 sweet taste receptors and modulates glucagon-like peptide-1, glucose-dependent insulinotrophic peptide, and incretin secretion.
Biochem/physiol Actions
A synthetic sweet tastant detectable by humans. Activates T1R2/T1R3 sweet taste receptors on enteroendocrine cells and elicits increased hormonal secretion of glucagon-like peptide-1 and glucose-dependent insulinotrophic peptide.1
Protocols & Applications
LC-MS Analysis of Sucralose and Sucrose Octacetate on Ascentis RP-Amide

Sigma Aldrich - 90984

Biochem/physiol Actions
A synthetic sweet tastant detectable by humans. Activates T1R2/T1R3 sweet taste receptors on enteroendocrine cells and elicits increased hormonal secretion of glucagon-like peptide-1 and glucose-dependent insulinotrophic peptide.1