Hygromycin A - Moligand™, ≥97% , CAS No.6379-56-2

CAS: 6379-56-2 Cat. No.: H1048419 Formula: C₂₃H₂₉NO₁₂ Molecular Weight: 511.48

GRADE & PURITY Moligand™, ≥97%

Synonyms

(E)-3-(4-(((2S,3S,4S,5S)-5-Acetyl-3,4-dihydroxytetrahydrofuran-2-yl)oxy)-3-hydroxyphenyl)-2-methyl-N-((3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxyhexahydrobenzo[d][1,3]dioxol-5-yl)acrylamide , Hygromycin A

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(E)-3-(4-(((2S,3S,4S,5S)-5-Acetyl-3,4-dihydroxytetrahydrofuran-2-yl)oxy)-3-hydroxyphenyl)-2-methyl-N-((3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxyhexahydrobenzo[d][1,3]dioxol-5-yl)acrylamide , Hygromycin A

Specifications & Purity

Moligand™, ≥97%

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥97%

Names and Identifiers

Pubchem Sid

528764842

Canonical Smiles

CC(=CC1=CC(=C(C=C1)OC2C(C(C(O2)C(=O)C)O)O)O)C(=O)NC3C(C(C4C(C3O)OCO4)O)O

IUPAC Name

(E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[(2S,3S,4S,5S)-5-acetyl-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxyphenyl]-2-methylprop-2-enamide

InChIKey

YQYJSBFKSSDGFO-IIHALWDASA-N

INCHI

1S/C23H29NO12/c1-8(22(32)24-13-14(27)16(29)21-20(15(13)28)33-7-34-21)5-10-3-4-12(11(26)6-10)35-23-18(31)17(30)19(36-23)9(2)25/h3-6,13-21,23,26-31H,7H2,1-2H3,(H,24,32)/b8-5+/t13-,14+,15-,16-,17+,18+,19-,20+,21-,23-/m1/s1

Isomeric SMILES

C/C(=C\C1=CC(=C(C=C1)O[C@H]2[C@H]([C@@H]([C@H](O2)C(=O)C)O)O)O)/C(=O)N[C@@H]3[C@@H]([C@H]([C@@H]4[C@H]([C@@H]3O)OCO4)O)O

Alternate CAS

6379-56-2

MeSH Entry Terms

hygromycin;hygromycin A

Molecular Weight

511.48

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Phenolic glycosides
• Alternative Parents: Cinnamic acid amides Hydroxycinnamic acids and derivatives O-glycosyl compounds Pentoses Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Cyclitols and derivatives 1,3-dioxolanes Tetrahydrofurans Ketones Secondary alcohols Secondary carboxylic acid amides Oxacyclic compounds Polyols Acetals Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenolic glycoside - Hydroxycinnamic acid or derivatives - Cinnamic acid amide - Cinnamic acid or derivatives - O-glycosyl compound - Pentose monosaccharide - Phenoxy compound - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monosaccharide - Cyclitol or derivatives - Monocyclic benzene moiety - Benzenoid - Meta-dioxolane - Cyclic alcohol - Tetrahydrofuran - Ketone - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Polyol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Alcohol - Organopnictogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
• External Descriptors: hydroxycinnamic acid

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

• Sensitivity: Light sensitive
• Molecular Weight: 511.500 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 511.169 Da
• Monoisotopic Mass: 511.169 Da
• Topological Polar Surface Area: 204.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 853.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1