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Cocarboxylase | 154-87-0

Product name:Cocarboxylase

CAS No:154-87-0
MF:C12H19ClN4O7P2S
MW:460.7674
MDL:MFCD00038740
CID:36625
PubChem ID:24893100
Introduction
Cocarboxylase is a compound with molecular formula c12h19n4o7p2scl< Br>
Names and Identifiers
  • cocarboxylase
  • Thiamine Pyrophosphate Chloride
  • Thiamine pyrophosphate
  • Thiamine-d3 Pyrophosphate Chloride (d3-Major)
  • Aneurinepyrophosphoric acid Cocarboxylase Thiamine pyrophosphate chloride
  • Vitamin B1 Pyrophosphoric Acid Ester Chloride
  • Aneurinepyrophosphoric acid
  • Thiamine diphosphate chloride
  • Vitamin B1
  • [2-[3-[(4-Amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxy-hydroxy-phosphoryl]oxyphosphonic acid chloride
  • co-bi
  • biosyth
  • nutrase
  • berolase
  • bivitasi
  • b-neurox
  • coxylase
  • pyrolase
  • bioxylasi
  • cocarbina
  • Cocarboxilasa
  • Farmaneurina
  • Cocarboxylasum
  • Pyruvodehydrase
  • Cocarboxil
  • Metabolase
  • Coenbione
  • Diphosphothiamin
  • Co-carboxylase
  • Diphosphothiamine
  • Thiamine-PP
  • Thiaminediphosphate
  • TPP (coenzyme)
  • Thiaminpyrophosphate
  • Thiaminepyrophosphate
  • TDP (thiamin ester)
  • Cocarboxylasum [INN-Latin]
  • Thiamine pyrophosphoric ester
  • Cocarboxilas
  • TPP
  • Cocarboxylase
  • Thiamine pyrophosphate chloride
  • Thiamin diphosphate
  • ThPP
  • Thiamine diphosphate
  • Thiamin pyrophosphate
  • MDL:MFCD00038740
  • InChIKey:YXVCLPJQTZXJLH-UHFFFAOYSA-N
  • 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
  • SMILES:[Cl-].S1C([H])=[N+](C([H])([H])C2=C([H])N=C(C([H])([H])[H])N=C2N([H])[H])C(C([H])([H])[H])=C1C([H])([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[H]
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 460.01400
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 12
  • Rotatable Bond Count: 8
  • Monoisotopic Mass: 460.014
  • Heavy Atom Count: 27
  • Complexity: 568
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 2
  • XLogP3: -3.894
  • Topological Polar Surface Area: 197

Experimental Properties

  • LogP: -1.57310
  • PSA: 216.83000
  • Water Partition Coefficient: It is soluble in water.
  • Solubility: H2O: soluble50mg/mL, clear to very slightly hazy, colorless
  • Color/Form: 1 mg/mL (50:50 Methanol:Water)
  • Solubility: It is soluble in water.
  • Sensitiveness: Sensitive to light and heat
Security Information
  • RTECS:XI7552000
  • WGK Germany:3
  • Safety Term:8
  • Safety Instruction:S22-S24/25
  • Packing Group:III
  • Packing Group:III
  • Hazard Level:8
  • Hazardous Material transportation number:1759
  • Hazard Statement:H302-H315-H319-H335
  • Warning Statement:P261-P280-P301+P312-P302+P352-P305+P351+P338
  • Storage Condition:Please store the product under the recommended conditions in the Certificate of Analysis.
  • PackingGroup:III
  • Signal Word:Warning
  • TSCA:Yes
  • HazardClass:8
  • FLUKA BRAND F CODES:3-8-10
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