Helicin - ≥98%(HPLC) , CAS No.618-65-5

CAS: 618-65-5 Cat. No.: D136210 Fórmula: C₁₃H₁₆O₇ Peso molecular: 284.26 Beilstein Registry Number: 31223

GRAU & PUREZA ≥98%(HPLC)

Synonyms

2-Formylphenyl beta-D-Glucopyranoside|PINDOLOL (EP MONOGRAPH)|2-hydroxybenzaldehyde beta-D-glucopyranoside|HELICIN [WHO-DD]|2-(beta-D-Glucopyranosyloxy)benzaldehyde|2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)benzaldehyde|Salicylaldehyde beta-D-glucoside|Pimobendan EP5|Helicin|Salicylaldehyde-beta-D-glucoside|HELICIN [MI]|2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzaldehyde|helicine|salicylaldehyde beta-D-glucopyranoside

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Especificações

Sinónimos

2-Formylphenyl beta-D-Glucopyranoside | PINDOLOL (EP MONOGRAPH) | 2-hydroxybenzaldehyde beta-D-glucopyranoside | HELICIN [WHO-DD] | 2-(beta-D-Glucopyranosyloxy)benzaldehyde | 2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)benzaldehyde | Salicylaldehyde beta-D-glucoside | Pimobendan EP5 | Helicin | Salicy Show more

Especificações e pureza

≥98%(HPLC)

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%(HPLC)

Nomes e identificadores

Pubchem Sid

488187279

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187279

Sorrisos canónicos

C1=CC=C(C(=C1)C=O)OC2C(C(C(C(O2)CO)O)O)O

IUPAC Name

2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde

InChIKey

BGOFCVIGEYGEOF-UJPOAAIJSA-N

INCHI

1S/C13H16O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2/t9-,10-,11+,12-,13-/m1/s1

SMILES isoméricas

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

WGK Alemanha

3

Peso molecular

284.26

Beilstein

31223

Reaxy-Rn

37847798

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37847798&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Phenolic glycosides
• Alternative Parents: Hexoses O-glycosyl compounds Phenoxy compounds Phenol ethers Benzoyl derivatives Benzaldehydes Oxanes Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenolic glycoside - Hexose monosaccharide - O-glycosyl compound - Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - Aryl-aldehyde - Monocyclic benzene moiety - Monosaccharide - Oxane - Benzenoid - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Acetal - Polyol - Aldehyde - Alcohol - Hydrocarbon derivative - Organic oxide - Primary alcohol - Aromatic heteromonocyclic compound
• Descrição: 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: beta-D-glucoside - monosaccharide derivative - benzaldehydes

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

Alvos associados (humanos)

Homo sapiens (32628 Activities)

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

Alvos associados (não humanos)

Meloidogyne incognita (862 Activities)

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

Mecanismos de ação

Propriedades químicas e físicas

• Rotação específica [α]: -62° (C=0.8,H2O)
• Ponto de fusão (°C): 178 °C
• Peso molecular: 284.260 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 284.09 Da
• Monoisotopic Mass: 284.09 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 324.000
• 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