D-Glucosamic Acid - ≥98% , CAS No.3646-68-2

CAS: 3646-68-2 Cat. No.: S161334 Molecular Weight: 195.17 Beilstein Registry Number: 1726030 PubChem CID: 73563

GRADE & PURITY ≥98%

Synonyms

2-Amino-2-deoxy-D-gluconic acid | OFH5RW45PA | Spectrum_001231 | 1,3-dihydroinden-2-one | Glucosaminic acid | NCGC00178247-01 | SR-05000002429-1 | 6BA699D8-74A0-43AF-82A9-F68E6BFA0B50 | D-lucosamic acid | 2-Amino-2-deoxy-D-gluconate | NSC 404265 | SDCCGML

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

2-Amino-2-deoxy-D-gluconic acid | OFH5RW45PA | Spectrum_001231 | 1, 3-dihydroinden-2-one | Glucosaminic acid | NCGC00178247-01 | SR-05000002429-1 | 6BA699D8-74A0-43AF-82A9-F68E6BFA0B50 | D-lucosamic acid | 2-Amino-2-deoxy-D-gluconate | NSC 404265 | SDCCGML

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504754713
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754713
• Canonical Smiles: C(C(C(C(C(C(=O)O)N)O)O)O)O
• IUPAC Name: (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid
• InChIKey: UFYKDFXCZBTLOO-TXICZTDVSA-N
• INCHI: 1S/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13)/t2-,3-,4-,5-/m1/s1
• Isomeric SMILES: C([C@H]([C@H]([C@@H]([C@H](C(=O)O)N)O)O)O)O
• WGK Germany: 3
• PubChem CID: 73563
• Molecular Weight: 195.17
• Beilstein: 1726030
• Reaxy-Rn: 1726033

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids
              • Level8 D-alpha-amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - Alpha amino acids
• Direct Parent: D-alpha-amino acids
• Alternative Parents: Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Amino fatty acids Aminosaccharides Beta hydroxy acids and derivatives Hydroxy fatty acids Monosaccharides 1,3-aminoalcohols Secondary alcohols Amino acids Monocarboxylic acids and derivatives Carboxylic acids Polyols Monoalkylamines Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: D-alpha-amino acid - Medium-chain hydroxy acid - Medium-chain fatty acid - Amino fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Amino saccharide - Hydroxy acid - Fatty acyl - Fatty acid - Monosaccharide - 1,3-aminoalcohol - Amino acid - Secondary alcohol - Carboxylic acid - Monocarboxylic acid or derivatives - Polyol - Primary alcohol - Alcohol - Primary aliphatic amine - Primary amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-carbon atom.
• External Descriptors: Uronic acids

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)

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Hygroscopic
• Specific Rotation[α]: -15° (C=2.5,1mol/L HCl)
• Molecular Weight: 195.170 g/mol
• XLogP3: -5.900
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 195.074 Da
• Monoisotopic Mass: 195.074 Da
• Topological Polar Surface Area: 144.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 175.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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