Validamycin A - Analytical standard, Moligand™ , CAS No.37248-47-8

CAS: 37248-47-8 Cat. No.: V115085 Formule: C₂₀H₃₅O₁₃N Poids moléculaire: 497.51 Numéro CE: 609-372-4 PubChem CID: 443629

QUALITÉ & PURETÉ Analytical standard, Moligand™

Synonyms

D-chiro-Inositol, 1,5,6-trideoxy-3-O-beta-D-glucopyranosyl-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-, (1S-(1-alpha,4-alpha,5-beta,6-alpha))- | MFCD09028089 | T-7545-A | W-204201 | VALIDAMYCIN A | DTXSID4058073 | (+

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Spécifications

Synonymes

D-chiro-Inositol, 1,5,6-trideoxy-3-O-beta-D-glucopyranosyl-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-, (1S-(1-alpha,4-alpha,5-beta,6-alpha))- | MFCD09028089 | T-7545-A | W-204201 | VALIDAMYCIN A | DTXSID4058073 | (+

Spécifications et pureté

Analytical standard, Moligand™

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Étalon d'analyse, Moligand™

Type d'action

INHIBITOR

Noms et identifiants

Pubchem Sid

504758806

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758806

Sourires canoniques

C1C(C(C(C(C1NC2C=C(C(C(C2O)O)O)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O)CO

IUPAC Name

(2R,3R,4S,5S,6R)-2-[(1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

InChIKey

JARYYMUOCXVXNK-CSLFJTBJSA-N

INCHI

1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1

Isomères SMILES

C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO

PubChem CID

443629

Poids moléculaire

497.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 O-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: O-glycosyl compounds
• Alternative Parents: Hexoses Aminocyclitols and derivatives Cyclohexylamines Cyclohexanols Oxanes 1,2-aminoalcohols Polyols Oxacyclic compounds Dialkylamines Acetals Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Hexose monosaccharide - O-glycosyl compound - Aminocyclitol or derivatives - Cyclohexanol - Cyclohexylamine - Cyclitol or derivatives - Monosaccharide - Oxane - Cyclic alcohol - Secondary alcohol - 1,2-aminoalcohol - Polyol - Secondary amine - Organoheterocyclic compound - Acetal - Oxacycle - Secondary aliphatic amine - Alcohol - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Primary alcohol - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
• External Descriptors: Antibiotic fungicides

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

Cibles associées (non humaines)

Cercospora beticola (433 Activities)

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Fusarium oxysporum (3998 Activities)

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Rhizoctonia solani (2251 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Hydroscopic
• Point de fusion (°C): 130-135°C
• Poids moléculaire: 497.500 g/mol
• XLogP3: -6.300
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 7
• Exact Mass: 497.211 Da
• Monoisotopic Mass: 497.211 Da
• Topological Polar Surface Area: 253.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 697.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 14
• 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