Hydrindantin - ≥97% , CAS No.5103-42-4

CAS: 5103-42-4 Cat. No.: H464252 분자식: C₁₈H₁₀O₆ 분자량: 322.27 EC 번호: 225-823-4

GRADE & PURITY ≥97%

Synonyms

[2,1',3,3'-tetrone, 2,2'-dihydroxy- | DTXSID8063701 | HYDRINDANTIN | UNII-P469P1DDC0 | [2,2'-Biindan]-1,1',3,3'-tetrone, 2,2'-dihydroxy- | 2,2'-Dihydroxy-1H,1'H-[2,2'-biindene]-1,1',3,3'(2H,2'H)-tetraone | LWFPYLZOVOCBPZ-UHFFFAOYSA-N | NSC83617 | NSC-8361

Storage

Room temperature

Shipped In

Normal

개요

Used in the determination of amino acids.

Specifications

동의어

[2,1',3,3'-tetrone, 2,2'-dihydroxy- | DTXSID8063701 | HYDRINDANTIN | UNII-P469P1DDC0 | [2,2'-Biindan]-1,1',3,3'-tetrone, 2,2'-dihydroxy- | 2,2'-Dihydroxy-1H,1'H-[2,2'-biindene]-1,1',3,3'(2H,2'H)-tetraone | LWFPYLZOVOCBPZ-UHFFFAOYSA-N | NSC83617 | NSC-8361

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

• 정식 스마일: C1=CC=C2C(=C1)C(=O)C(C2=O)(C3(C(=O)C4=CC=CC=C4C3=O)O)O
• IUPAC Name: 2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione
• InChIKey: LWFPYLZOVOCBPZ-UHFFFAOYSA-N
• INCHI: 1S/C18H10O6/c19-13-9-5-1-2-6-10(9)14(20)17(13,23)18(24)15(21)11-7-3-4-8-12(11)16(18)22/h1-8,23-24H
• 이성체 SMILES: C1=CC=C2C(=C1)C(=O)C(C2=O)(C3(C(=O)C4=CC=CC=C4C3=O)O)O
• 분자량: 322.27
• Reaxy-Rn: 2062753
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2062753&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanediones
• Alternative Parents: Aryl alkyl ketones Acyloins Tertiary alcohols 1,2-diols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanedione - Aryl alkyl ketone - Aryl ketone - Acyloin - Tertiary alcohol - Ketone - 1,2-diol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as indanediones. These are compounds containing an indane ring bearing two ketone groups.
• 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

화학 및 물리적 특성

• 녹는점(°C): 252° C (dec.)
• 분자량: 322.300 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 322.048 Da
• Monoisotopic Mass: 322.048 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 546.000
• 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

참고 문헌

1. Zhan Li, Jianhua Zhang, Hengjie Zhang, Tianyou Wang, Yuxian Song, Pengyu Liu, Yiwen Li, Hong Liu, Wancai Guo, Zhipeng Gu.  (2025)  Multifunctional Polyphenolic Nanoparticle-Cross-Linked Aminoglycoside Hydrogels.  BIOMACROMOLECULES,      [PMID:41111207] [10.1021/acs.biomac.5c01289]