Maltitol - ≥95% , CAS No.585-88-6

CAS: 585-88-6 Cat. No.: M113279 Formula: C₁₂H₂₄O₁₁ Molecular Weight: 344.31 Beilstein Registry Number: 89983 EC Number: 209-567-0

GRADE & PURITY ≥95%

Synonyms

4-O-a-glucopyranosyl-D-sorbitol | Cerestar 16303 | HSDB 7971 | delta-4-O-alpha-delta-Glucopyranosylglucitol | Maltitol, Pharmaceutical Secondary Standard; Certified Reference Material | alpha-D-glucosyl-(1->4)-D-glucitol | BRN 0089983 | CCG-267963 | D-4-O

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

product description：

Maltitol is a low-caloric artificial sweetener, consisting of a sugar alcohol (polyol)

Specifications

Synonyms

4-O-a-glucopyranosyl-D-sorbitol | Cerestar 16303 | HSDB 7971 | delta-4-O-alpha-delta-Glucopyranosylglucitol | Maltitol, Pharmaceutical Secondary Standard; Certified Reference Material | alpha-D-glucosyl-(1->4)-D-glucitol | BRN 0089983 | CCG-267963 | D-4-O

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Sugar substitute with a weak genotoxic effect.

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥95%

Names and Identifiers

Pubchem Sid

508817197

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508817197

Canonical Smiles

C(C1C(C(C(C(O1)OC(C(CO)O)C(C(CO)O)O)O)O)O)O

IUPAC Name

(2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol

InChIKey

VQHSOMBJVWLPSR-WUJBLJFYSA-N

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

Isomeric SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](CO)O)O)O)O)O)O

WGK Germany

3

RTECS

LZ4394000

Molecular Weight

344.31

Beilstein

89983

Reaxy-Rn

265043

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=265043&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acyl glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acyl glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acyl glycosides of mono- and disaccharides
• Alternative Parents: Alkyl glycosides O-glycosyl compounds Disaccharides Fatty alcohols Sugar alcohols Oxanes Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Fatty acyl glycoside of mono- or disaccharide - Alkyl glycoside - Disaccharide - Glycosyl compound - O-glycosyl compound - Fatty alcohol - Sugar alcohol - Oxane - Secondary alcohol - Acetal - Organoheterocyclic compound - Oxacycle - Polyol - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. These are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.
• External Descriptors: alpha-D-glucoside

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

pol Human immunodeficiency virus type 1 integrase (9041 Activities)

Discover Target: pol

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water. Slightly soluble in ethanol.
• Sensitivity: Moisture sensitive.
• Specific Rotation[α]: 105° (C=10,H2O)
• Melt Point(°C): 145-152℃
• Molecular Weight: 344.310 g/mol
• XLogP3: -5.200
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 344.132 Da
• Monoisotopic Mass: 344.132 Da
• Topological Polar Surface Area: 201.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 343.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1