MPT-NAG - ≥95% , CAS No.149263-94-5

CAS: 149263-94-5 Cat. No.: M302943 Formula: C₁₄H₂₀N₂O₅S Molecular Weight: 328.38 PubChem CID: 15788430

GRADE & PURITY ≥95%

Synonyms

DTXSID20578312 | CID 15788430 | W-201322 | 6-Methyl-2-pyridinyl 2-(acetylamino)-2-deoxy-1-thio-beta-d-glucopyranoside | 6-Methyl-2-pyridinyl 2-acetamido-2-deoxy-b-D-thioglucopyranoside | 6-Methylpyridin-2-yl 2-acetamido-2-deoxy-1-thio-beta-D-glucopyranosi

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

DTXSID20578312 | CID 15788430 | W-201322 | 6-Methyl-2-pyridinyl 2-(acetylamino)-2-deoxy-1-thio-beta-d-glucopyranoside | 6-Methyl-2-pyridinyl 2-acetamido-2-deoxy-b-D-thioglucopyranoside | 6-Methylpyridin-2-yl 2-acetamido-2-deoxy-1-thio-beta-D-glucopyranosi

Specifications & Purity

≥95%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

Pubchem Sid

504767958

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767958

Canonical Smiles

CC1=NC(=CC=C1)SC2C(C(C(C(O2)CO)O)O)NC(=O)C

IUPAC Name

N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(6-methylpyridin-2-yl)sulfanyloxan-3-yl]acetamide

InChIKey

XUKXHOMZOIYNLR-FZGMBXNASA-N

INCHI

1S/C14H20N2O5S/c1-7-4-3-5-10(15-7)22-14-11(16-8(2)18)13(20)12(19)9(6-17)21-14/h3-5,9,11-14,17,19-20H,6H2,1-2H3,(H,16,18)/t9-,11-,12-,13-,14+/m1/s1

Isomeric SMILES

CC1=NC(=CC=C1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C

PubChem CID

15788430

Molecular Weight

328.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Thioglycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Thioglycosides
• Alternative Parents: Aryl thioethers Methylpyridines Monosaccharides Oxanes Acetamides Heteroaromatic compounds Monothioacetals Secondary alcohols Secondary carboxylic acid amides 1,2-diols Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Primary alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: S-glycosyl compound - Aryl thioether - Methylpyridine - Monosaccharide - Oxane - Pyridine - Monothioacetal - Heteroaromatic compound - Acetamide - 1,2-diol - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Primary alcohol - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Alcohol - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thioglycosides. These are glycoside in which a sugar group is bonded through one carbon to another group via a S-glycosidic bond.
• 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: 328.390 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 328.109 Da
• Monoisotopic Mass: 328.109 Da
• Topological Polar Surface Area: 137.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 386.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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