Deoxyshikonin - Moligand™, ≥98%(HPLC) , CAS No.43043-74-9

CAS: 43043-74-9 Cat. No.: D154351 Summenformel: C₁₆H₁₆O₄ Molekulargewicht: 272.29 EG-Nummer: 678-136-0

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

ARNEBIN-7 | 5,8-Dihydroxy-2-(4-methyl-3-pentenyl)naphthoquinone # | DTXSID80195660 | AKOS037515090 | CCG-208460 | 5,8-Dihydroxy-2-(4-methyl-3-pentenyl)-1,4-naphthalenedione | SR-05000013699-1 | BCP34278 | Deoxyshikonin | 5,8-Dihydroxy-2-(4-methylpent-3-en

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

ARNEBIN-7 | 5,8-Dihydroxy-2-(4-methyl-3-pentenyl)naphthoquinone # | DTXSID80195660 | AKOS037515090 | CCG-208460 | 5,8-Dihydroxy-2-(4-methyl-3-pentenyl)-1,4-naphthalenedione | SR-05000013699-1 | BCP34278 | Deoxyshikonin | 5,8-Dihydroxy-2-(4-methylpent-3-en

Spezifikationen & Reinheit

Moligand™, ≥98%(HPLC)

Storage

Protected from light,Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Pubchem Sid: 528770402
• Kanonisches Lächeln: CC(=CCCC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)C
• IUPAC Name: 5,8-dihydroxy-2-(4-methylpent-3-enyl)naphthalene-1,4-dione
• InChIKey: VOMDIEGPEURZJO-UHFFFAOYSA-N
• INCHI: 1S/C16H16O4/c1-9(2)4-3-5-10-8-13(19)14-11(17)6-7-12(18)15(14)16(10)20/h4,6-8,17-18H,3,5H2,1-2H3
• Isomere SMILES: CC(=CCCC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)C
• Molekulargewicht: 272.29
• Reaxy-Rn: 2217706
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2217706&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes
      • Subclass Naphthoquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Naphthoquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthoquinones
• Alternative Parents: Bicyclic monoterpenoids Aromatic monoterpenoids Quinones Aryl ketones 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthoquinone - Monoterpenoid - Bicyclic monoterpenoid - Aromatic monoterpenoid - Aryl ketone - Quinone - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone).
• External Descriptors: a quinone

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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive
• Molekulargewicht: 272.290 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 272.105 Da
• Monoisotopic Mass: 272.105 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 471.000
• 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