(2S,3R,4R,5R)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexane-1,2,3,5,6-pentol

• ChemBase ID: 128191
• Molecular Formular: C12H24O11
• Molecular Mass: 344.31236
• Monoisotopic Mass: 344.13186159
• SMILES: OC[C@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
• Canonical SMILES: OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O
• InChI: InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+/m0/s1
• InChIKey: VQHSOMBJVWLPSR-WUJBLJFYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3R,4R,5R)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexane-1,2,3,5,6-pentol
• IUPAC Traditional name: maltitol
• Synonyms: Amalty; Lesys; Maltisweet; SweetPearl; Maltitol; 4-O-α-Glucopyranosyl-D-sorbitol; Maltitol

Database IDs

• CAS Number: 585-88-6
• EC Number: 209-567-0
• MDL Number: MFCD00006600
• Beilstein Number: 89983
• PubChem SID: 24882606; 24897294; 162222502
• PubChem CID: 493591
• CHEMBL: 63558
• Chemspider ID: 432001
• Unique Ingredient Identifier: D65DG142WK
• Wikipedia Title: Maltitol

CALCULATED PROPERTIES

• Acid pKa: 12.099719
• H Acceptors: 11
• H Donor: 9
• LogD (pH = 5.5): -5.5008545
• LogD (pH = 7.4): -5.500863
• Log P: -5.5008545
• Molar Refractivity: 70.8169 cm^3
• Polarizability: 29.590591 Å^3
• Polar Surface Area: 200.53 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: ~149 °C; 145°C; 149-152 °C(lit.)
• Optical Rotation: [α]20/D +107±3°, c = 10% in H2O
• Sweetness: 0.9 × sucrose

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥96.0% (HPLC); ≥98%
• Grade: purum
• Empirical Formula (Hill Notation): C12H24O11

DETAILS

Sigma Aldrich - M8892

Biochem/physiol Actions
Sugar substitute with a weak genotoxic effect.1
包装
25, 100 g in poly bottle

Sigma Aldrich - 63415

Biochem/physiol Actions
Sugar substitute with a weak genotoxic effect.1