Saintopin , CAS No.131190-63-1

CAS: 131190-63-1 Cat. No.: S1264255 Formula: C₁₈H₁₀O₇ Molecular Weight: 338.3

Storage

Room temperature

Shipped In

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Specifications

Storage

Room temperature

Shipped In

Normal

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: C1=C2C=C3C(=C(C2=C(C=C1O)O)O)C(=O)C4=C(C3=O)C=C(C=C4O)O
• IUPAC Name: 1,3,8,10,11-pentahydroxytetracene-5,12-dione
• InChIKey: CGFVUVWMYIHGHS-UHFFFAOYSA-N
• INCHI: 1S/C18H10O7/c19-7-1-6-2-9-15(17(24)13(6)11(21)4-7)18(25)14-10(16(9)23)3-8(20)5-12(14)22/h1-5,19-22,24H
• Molecular Weight: 338.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthacenes
      • Subclass Tetracenequinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthacenes
• Subclass: Tetracenequinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracenequinones
• Alternative Parents: Hydroxyanthraquinones Naphthols and derivatives Aryl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Hydroxyanthraquinone - 2-naphthol - 1-naphthol - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - Ketone - Polyol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tetracenequinones. These are polyaromatic hydrocarbon derivatives containing a tetracyclic cycle made up of four linearly fused benzene rings, one of which bears two ketone groups at position 1 and 4.
• 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

Chemical and Physical Properties

• Molecular Weight: 338.300 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 338.043 Da
• Monoisotopic Mass: 338.043 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 578.000
• 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

Frequently Asked Questions

How should this product be stored?

Store at room temperature.

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This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 131190-63-1, the molecular formula is C18H10O7, and the molecular weight is 338.3 g/mol. InChIKey CGFVUVWMYIHGHS-UHFFFAOYSA-N.

What documentation is provided?

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