D-Lactitol monohydrate - ≥98% , CAS No.81025-04-9

CAS: 81025-04-9 Cat. No.: L121088 Molecular Weight: 362.33 Beilstein Registry Number: 4218679 EC Number: 209-566-5 PubChem CID: 3067270

GRADE & PURITY ≥98%

Synonyms

Lactitol hydrate (JAN) | Lactitol monohydrate | Q27291076 | NSC-759131 | CAS-81025-04-9 | SMR000499577 | D-Lactitol monohydrate, ~99% | HY-B1389 | Lactitol, United States Pharmacopeia (USP) Reference Standard | AKOS016000313 | LACTITOL MONOHYDRATE [EP MON

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Lactitol hydrate (JAN) | Lactitol monohydrate | Q27291076 | NSC-759131 | CAS-81025-04-9 | SMR000499577 | D-Lactitol monohydrate, ~99% | HY-B1389 | Lactitol, United States Pharmacopeia (USP) Reference Standard | AKOS016000313 | LACTITOL MONOHYDRATE [EP MON

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504762387
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762387
• Canonical Smiles: C(C1C(C(C(C(O1)OC(C(CO)O)C(C(CO)O)O)O)O)O)O.O
• IUPAC Name: (2S,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol;hydrate
• InChIKey: LXMBXZRLTPSWCR-XBLONOLSSA-N
• INCHI: 1S/C12H24O11.H2O/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;1H2/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.O
• WGK Germany: 2
• RTECS: LZ4393000
• PubChem CID: 3067270
• Molecular Weight: 362.33
• Beilstein: 4218679

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 Sugar alcohols Oxanes Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Fatty acyl glycoside of mono- or disaccharide - Alkyl glycoside - Disaccharide - Glycosyl compound - O-glycosyl compound - Oxane - Sugar alcohol - Secondary alcohol - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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: Not available

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

Chemical and Physical Properties

• Melt Point(°C): 95-98°C
• Molecular Weight: 362.330 g/mol
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 362.142 Da
• Monoisotopic Mass: 362.142 Da
• Topological Polar Surface Area: 202.000 Ų
• Heavy Atom Count: 24
• 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: 2

XLogP3