Réticulol - ≥98% , CAS No.26246-41-3

CAS: 26246-41-3 Cat. No.: R275602 Formule: C₁₁H₁₀O₅ Poids moléculaire: 222.19 PubChem CID: 5359036

GRADE & PURITY ≥98%

Synonyms

HB4057 | NSC 294978 | 6,8-Dihydroxy-7-methoxy-3-methylisocoumarin | HY-120241 | K-251-1 | NSC294978 | NSC-294978 | 6,8-Dihydroxy-7-methoxy-3-methyl-1H-isochromen-1-one | AKOS040749287 | Isocoumarin, 6,8-dihydroxy-7-methoxy-3-methyl- | E2RA5C4YRR | K 251-1

Storage

A conserver à -20°C,Desséché

Shipped In

Glacière + blocs de glace

Vue d’ensemble

Conserver à -20°C. Conserver dans des conditions de dessiccation. Le produit peut être conservé jusqu'à 12 mois.

Specifications

Synonymes

HB4057 | NSC 294978 | 6,8-Dihydroxy-7-methoxy-3-methylisocoumarin | HY-120241 | K-251-1 | NSC294978 | NSC-294978 | 6,8-Dihydroxy-7-methoxy-3-methyl-1H-isochromen-1-one | AKOS040749287 | Isocoumarin, 6,8-dihydroxy-7-methoxy-3-methyl- | E2RA5C4YRR | K 251-1

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Biological description': "Topoisomerase I inhibitor. Antiproliferative agent.

Conditions de stockage de stockage

A conserver à -20°C,Desséché

Expédié en

Glacière + blocs de glace

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureté

≥98%

Noms et identifiants

Sourires canoniques

CC1=CC2=CC(=C(C(=C2C(=O)O1)O)OC)O

IUPAC Name

6,8-dihydroxy-7-methoxy-3-methylisochromen-1-one

InChIKey

LREZRXWUEZCZRU-UHFFFAOYSA-N

INCHI

1S/C11H10O5/c1-5-3-6-4-7(12)10(15-2)9(13)8(6)11(14)16-5/h3-4,12-13H,1-2H3

Isomères SMILES

CC1=CC2=CC(=C(C(=C2C(=O)O1)O)OC)O

PubChem CID

5359036

Poids moléculaire

222.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Isocoumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Isocoumarins and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isocoumarins and derivatives
• Alternative Parents: 2-benzopyrans Anisoles Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isocoumarin - Benzopyran - 2-benzopyran - Anisole - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Pyranone - Pyran - Benzenoid - Vinylogous acid - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1.
• 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

Propriétés chimiques et physiques

• Solubilité: Soluble in ethanol and in DMSO
• Poids moléculaire: 222.190 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 222.053 Da
• Monoisotopic Mass: 222.053 Da
• Topological Polar Surface Area: 76.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 324.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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