meso-Butane-1,2,3,4-tetracarboxylic Dianhydride - ≥96% , CAS No.17309-39-6

CAS: 17309-39-6 Cat. No.: M158458 Molecular Weight: 198.13 EC Number: 678-026-2

GRADE & PURITY ≥96%

Synonyms

AKOS016011233 | DTXSID701204872 | (3R,3'S)-Tetrahydro-[3,3'-bifuran]-2,2',5,5'-tetraone | SCHEMBL15780501 | (3S)-3-[(3R)-2,5-dioxooxolan-3-yl]oxolane-2,5-dione | D88856 | AS-71166 | (3R,3'S)-[3,3'-BIOXOLANE]-2,2',5,5'-TETRONE | [3,3'-Bifuran]-2,2',5,5'-te

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

AKOS016011233 | DTXSID701204872 | (3R, 3'S)-Tetrahydro-[3, 3'-bifuran]-2, 2', 5, 5'-tetraone | SCHEMBL15780501 | (3S)-3-[(3R)-2, 5-dioxooxolan-3-yl]oxolane-2, 5-dione | D88856 | AS-71166 | (3R, 3'S)-[3, 3'-BIOXOLANE]-2, 2', 5, 5'-TETRONE | [3, 3'-Bifuran]-2, 2', 5, 5'-te

Specifications & Purity

≥96%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Canonical Smiles: C1C(C(=O)OC1=O)C2CC(=O)OC2=O
• IUPAC Name: (3R)-3-[(3S)-2,5-dioxooxolan-3-yl]oxolane-2,5-dione
• InChIKey: OLQWMCSSZKNOLQ-ZXZARUISSA-N
• INCHI: 1S/C8H6O6/c9-5-1-3(7(11)13-5)4-2-6(10)14-8(4)12/h3-4H,1-2H2/t3-,4+
• Isomeric SMILES: C1[C@@H](C(=O)OC1=O)[C@@H]2CC(=O)OC2=O
• Molecular Weight: 198.13
• Reaxy-Rn: 86037
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=86037&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Tetracarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Oxolanes Carboxylic acid anhydrides Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Oxolane - Carboxylic acid anhydride - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl 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

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive
• Molecular Weight: 198.130 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 198.016 Da
• Monoisotopic Mass: 198.016 Da
• Topological Polar Surface Area: 86.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 310.000
• 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

References

1. Ridong Hu, Chong Mao, Hao Zhuo, Xiaobing Dai, Lewen Yang, Xugang Shu, Yang Li, Zhanqiang Li, Wenhong Ruan, Fujie Yang, Xudong Chen.  (2025)  Molecular space linkage of dipentacyclic anhydride additives for long-lifespan Li-metal batteries with Ni-rich cathode.  Energy Storage Materials,      [PMID:] [10.1016/j.ensm.2025.104033]