Acarbose - ≥98% , CAS No.9811704

CAS: 9811704 Cat. No.: A1348080 Formula: C₂₅H₄₃NO₁₈ Molecular Weight: 645.6 EC Number: 260-030-7

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O)CO
• IUPAC Name: (2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
• InChIKey: CEMXHAPUFJOOSV-XGWNLRGSSA-N
• INCHI: 1S/C25H43NO18/c1-7-13(26-9-2-8(3-27)14(33)18(37)15(9)34)17(36)20(39)24(41-7)44-23-12(6-30)42-25(21(40)19(23)38)43-22(11(32)5-29)16(35)10(31)4-28/h2,4,7,9-27,29-40H,3,5-6H2,1H3/t7-,9+,10+,11-,12-,13-,14-,15+,16-,17+,18+,19-,20-,21-,22-,23-,24-,25-/m1/s1
• Molecular Weight: 645.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Aminosaccharides
          • Level6 Aminoglycosides
            • Level7 Aminocyclitol glycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides - Aminoglycosides
• Direct Parent: Aminocyclitol glycosides
• Alternative Parents: Oligosaccharides Alkyl glycosides O-glycosyl compounds Beta-hydroxy aldehydes Cyclitols and derivatives Oxanes Alpha-hydroxyaldehydes 1,2-aminoalcohols Secondary alcohols Polyols Dialkylamines Acetals Oxacyclic compounds Organic oxides Primary alcohols Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oligosaccharide - Amino cyclitol glycoside - Fatty acyl glycoside - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - Cyclitol or derivatives - Beta-hydroxy aldehyde - Fatty acyl - Oxane - Alpha-hydroxyaldehyde - 1,2-aminoalcohol - Secondary alcohol - Polyol - Oxacycle - Acetal - Secondary amine - Organoheterocyclic compound - Secondary aliphatic amine - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Organic oxide - Aldehyde - Alcohol - Primary alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidically linked to a carbohydrate moiety. There are two major classes of aminoglycosides containing a 2-streptamine core. They are called 4,5- and 4,6-disubstituted 2-deoxystreptamines.
• 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

• Molecular Weight: 645.600 g/mol
• XLogP3: -8.800
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 13
• Exact Mass: 645.248 Da
• Monoisotopic Mass: 645.248 Da
• Topological Polar Surface Area: 329.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 945.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 18
• 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

References

1. Zhimin Zhu, Yan Zhang, Bingbing He, Limin He, Guihong Fang, Yi Ning, Pengcheng Fu, Jing Liu.  (2025)  Screening and Assessment of Hypoglycemic Active Peptide from Natural Edible Pigment Phycobiliprotein Based on Molecular Docking, Network Pharmacology, Enzyme Inhibition Assay Analyses, and Cell Experiments.  Marine Drugs,  23  (8): (331).  [PMID:40863647] [10.3390/md23080331]