Cocarboxylase

• CAS: 154-87-0
• Catalog Number: ACM154870
• Category: Other Products
• Molecular Weight: 460.77
• Molecular Formula: C12H19ClN4O7P2S
• Synonyms: Thiamine diphosphate chloride
• IUPAC Name: 2-[3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate;chloride
• Canonical SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O.[Cl-]
• InChI: InChI=1S/C12H18N4O7P2S.ClH/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21);1H
• InChI Key: YXVCLPJQTZXJLH-UHFFFAOYSA-N
• Melting Point: 240-241 °C
• Solubility: Soluble in water
• Appearance: Colorless or white solid
• Storage: -20 °C
• Complexity: 568
• Exact Mass: 460.0138218
• Monoisotopic Mass: 460.0138218
• Safety Description: 22-24/25
• Topological Polar Surface Area: 197 Ų

Custom Q&A

What is the PubChem CID of Cocarboxylase?

The PubChem CID of Cocarboxylase is 9068.

What is the molecular formula of Cocarboxylase?

The molecular formula of Cocarboxylase is C12H19ClN4O7P2S.

What is the molecular weight of Cocarboxylase?

The molecular weight of Cocarboxylase is 460.77 g/mol.

What is the parent compound of Cocarboxylase?

The parent compound of Cocarboxylase is Thiamine diphosphate (CID 1132).

What are the synonyms of Cocarboxylase?

The synonyms of Cocarboxylase are thiamine pyrophosphate, Thiamine pyrophosphate chloride, and thiamine diphosphate.

What is the structure of Cocarboxylase?

The structure of Cocarboxylase is not provided in the reference.

What is the IUPAC name of Cocarboxylase?

The IUPAC name of Cocarboxylase is 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate;chloride.

What is the InChIKey of Cocarboxylase?

The InChIKey of Cocarboxylase is YXVCLPJQTZXJLH-UHFFFAOYSA-N.

What is the CAS number of Cocarboxylase?

The CAS number of Cocarboxylase is 154-87-0.

What is the NCI Thesaurus Code of Cocarboxylase?

The NCI Thesaurus Code of Cocarboxylase is C81632.

Synthetic Use

Upstream Synthesis Route 1

• 50851-39-3
• 67-03-8

• 154-87-0
• 10023-48-0

Reference: [1]Justus Liebigs Annalen der Chemie,1958,vol. 618,p. 210,215, 219

Downstream Synthesis Route 1

• 154-87-0

• 532-40-1

Reference: [1]Lohmann; Schuster
[Biochemische Zeitschrift, 1937, vol. 294, p. 188,199]
Karrer; Viscontini
[Helvetica Chimica Acta, 1946, vol. 29, p. 711,715]

* For details of the synthesis route, please refer to the original source to ensure accuracy.