Hematoxylin - for microscopy (Hist.), indicator (pH 5.0-6.0) , CAS No.517-28-2

CAS: 517-28-2 Cat. No.: H104306 分子式: C₁₆H₁₄O₆·xH₂O 分子量: 302.28(as Anhydrous) Beilstein Registry Number: 17(2)273 EC番号: 208-237-3

グレード＆純度 for microscopy (Hist.), indicator (pH 5.0-6.0)

Synonyms

Hematoxylin, for microscopy (Hist.), indicator (pH 5.0-6.0) | NSC 270085 | NCGC00160144-01 | Q1146112 | NCI-C55889 | HSDB 4174 | Natural Black 1 | CHEBI:38384 | Hydroxybrasilin | LMPK12100063 | DTXSID8020678 | WZUVPPKBWHMQCE-XJKSGUPXSA-N | (Z)-2-dodecened

Storage

Room temperature

Shipped In

Normal

仕様

同義語

Hematoxylin, for microscopy (Hist.), indicator (pH 5.0-6.0) | NSC 270085 | NCGC00160144-01 | Q1146112 | NCI-C55889 | HSDB 4174 | Natural Black 1 | CHEBI:38384 | Hydroxybrasilin | LMPK12100063 | DTXSID8020678 | WZUVPPKBWHMQCE-XJKSGUPXSA-N | (Z)-2-dodecened

仕様と純度

for microscopy (Hist.), indicator (pH 5.0-6.0)

保管条件

Room temperature

入荷

Normal

名前と識別子

パブケム・シド

508816362

カノニカル・スマイル

C1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4O)O)O)O)O

IUPAC Name

(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol

InChIKey

WZUVPPKBWHMQCE-XJKSGUPXSA-N

INCHI

1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/m0/s1

異性体SMILES

C1C2=CC(=C(C=C2[C@H]3[C@@]1(COC4=C3C=CC(=C4O)O)O)O)O

WGKドイツ

3

RTECS

MH7875000

分子量

302.28(as Anhydrous)

Beilstein

17(2)273

Reaxy-Rn

91399

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=91399&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzopyrans
• Alternative Parents: Indanes Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Tertiary alcohols Polyols Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzopyran - Indane - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Tertiary alcohol - Oxacycle - Polyol - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
• External Descriptors: Neoflavonoids

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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作用メカニズム

化学的性質と物理的性質

• 感度: Light Sensitive
• 融点（°C）: 200°C
• 分子量: 302.280 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 302.079 Da
• Monoisotopic Mass: 302.079 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 444.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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