Dimethyl succinate-2,2,3,3-d₄ - ≥98 atom% D,≥99% , CAS No.30994-23-1

CAS: 30994-23-1 Cat. No.: D472096 Formula: CH₃O₂CCD₂CD₂CO₂CH₃ Peso molecolare: 150.17

GRADE & PURITY ≥98 atom% D,≥99%

Synonyms

dimethyl 2,2,3,3-tetradeuteriobutanedioate | Dimethyl butanedioate-2,2,3,3-d4 | D98604 | Dimethyl succinate-2,2,3,3-d4, 98 atom % D | imethyl butanedioate-2,2,3,3-d4 | J-018220 | AKOS015915967 | A935587 | Dimethyl succinate-2,2,3,3-d4 | Dimethyl succinate

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

dimethyl 2,2,3,3-tetradeuteriobutanedioate | Dimethyl butanedioate-2,2,3,3-d4 | D98604 | Dimethyl succinate-2,2,3,3-d4, 98 atom % D | imethyl butanedioate-2,2,3,3-d4 | J-018220 | AKOS015915967 | A935587 | Dimethyl succinate-2,2,3,3-d4 | Dimethyl succinate

Specifiche e purezza

≥98 atom% D,≥99%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98 atom% D,≥99%

Nomi e identificatori

Sorrisi canonici

COC(=O)CCC(=O)OC

IUPAC Name

dimethyl 2,2,3,3-tetradeuteriobutanedioate

InChIKey

MUXOBHXGJLMRAB-KHORGVISSA-N

INCHI

1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3/i3D2,4D2

Isomeri SMILES

[2H]C([2H])(C(=O)OC)C([2H])([2H])C(=O)OC

Peso molecolare

150.17

Reaxy-Rn

956776

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=956776&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid methyl esters
• Alternative Parents: Dicarboxylic acids and derivatives Methyl esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
• 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

Proprietà chimiche e fisiche

• Solubilità: Chloroform (Slightly)
• Sensibilità: Hygroscopic
• Punto di ebollizione (°C): 200°C
• Punto di fusione (°C): 18-19°C
• Peso molecolare: 150.170 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 150.083 Da
• Monoisotopic Mass: 150.083 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 114.000
• Isotope Atom Count: 4
• 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