hedamycin - Moligand™ , CAS No.H610804

CAS: H610804 Cat. No.: H610804 PubChem CID: 98033

GRADE & PURITY Moligand™

Synonyms

4H-Anthra(1,2-b)pyran-4,7,12-trione, 2-(3,3'-dimethyl(2,2'-bioxiran)-3-yl)-11-hydroxy-5-methyl-8-(2,3,6-trideoxy-3-(dimethylamino)-beta-D-arabino-hexopyranosyl)-10-(2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-alpha-L-lyxo-hexopyranosyl)- | Crystalline ant

Storage

Room temperature

Specifications

Synonyme

4H-Anthra(1,2-b)pyran-4,7,12-trione, 2-(3,3'-dimethyl(2,2'-bioxiran)-3-yl)-11-hydroxy-5-methyl-8-(2,3,6-trideoxy-3-(dimethylamino)-beta-D-arabino-hexopyranosyl)-10-(2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-alpha-L-lyxo-hexopyranosyl)- | Crystalline ant

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Namen und Kennungen

• Kanonisches Lächeln: CN(C1CC(OC(C1O)C)c1cc(C2OC(C)C(C(C2)(C)N(C)C)O)c(c2c1C(=O)c1cc(C)c3c(c1C2=O)oc(cc3=O)C1(C)OC1C1OC1C)O)C
• IUPAC Name: 10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-(3-methyloxiran-2-yl)oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione
• InChIKey: RZOFHOWMWMTHDX-UHFFFAOYSA-N
• INCHI: 1S/C41H50N2O11/c1-16-11-22-30(37-28(16)24(44)14-27(53-37)41(6)39(54-41)36-18(3)52-36)35(48)31-29(34(22)47)20(25-13-23(42(7)8)32(45)17(2)50-25)12-21(33(31)46)26-15-40(5,43(9)10)38(49)19(4)51-26/h11-12,14,17-19,23,25-26,32,36,38-39,45-46,49H,13,15H2,1-10H3
• Isomere SMILES: CC1C(C(CC(O1)C2=CC(=C(C3=C2C(=O)C4=C(C3=O)C5=C(C(=C4)C)C(=O)C=C(O5)C6(C(O6)C7C(O7)C)C)O)C8CC(C(C(O8)C)O)(C)N(C)C)N(C)C)O
• PubChem CID: 98033

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Naphthopyranones Chromones Aryl ketones Aralkylamines Pyranones and derivatives Oxanes Heteroaromatic compounds Vinylogous acids 1,2-aminoalcohols Secondary alcohols Trialkylamines Epoxides Dialkyl ethers Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 9,10-anthraquinone - Anthraquinone - Naphthopyranone - Naphthopyran - Chromone - Benzopyran - 1-benzopyran - Aryl ketone - Pyranone - Aralkylamine - Oxane - Pyran - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - 1,2-aminoalcohol - Ketone - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 746.800 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 746.341 Da
• Monoisotopic Mass: 746.341 Da
• Topological Polar Surface Area: 171.000 Ų
• Heavy Atom Count: 54
• Formal Charge: 0
• Complexity: 1570.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 12
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is H610804. InChIKey RZOFHOWMWMTHDX-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.