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35556-70-8

35556-70-8 Structure

35556-70-8 Structure
IdentificationMore
[Name]

PHOSPHOENOLPYRUVIC ACID TRIS(CYCLOHEXYLAMMONIUM) SALT
[CAS]

35556-70-8
[Synonyms]

2-[PHOSPHONOOXY]-2-PROPENOIC ACID TRI(CYCLOHEXYLAMMONIUM) SALT
PEP
PEP-3CHA
PEP 3 CHX
PEP TCHA SALT
PEP-TRI
PEP TRICYCLOHEXYL-AMMONIUM SALT
PHOSPHO(ENOL)PYRUVATE TRI(CYCLOHEXYLAMMONIUM) SALT
PHOSPHOENOLPYRUVATE TRIS(CYCLOHEXYLAMMONIUM) SALT
PHOSPHOENOLPYRUVIC ACID TRI(CYCLOHEXYLAMINE) SALT
PHOSPHOENOLPYRUVIC ACID TRICYCLOHEXYLAMMONIUM SALT
PHOSPHOENOLPYRUVIC ACID TRIS(CYCLOHEXYLAMINE) SALT
PHOSPHOENOLPYRUVIC ACID TRIS(CYCLOHEXYLAMMONIUM) SALT
2-(phosphonooxy)-2-propenoicacicompd.withcyclohexanamine(1:3)
2-(phosphonooxy)acrylic acid, compound with cyclohexylamine (1:3)
PHOSPHO(ENOL)PYRUVATE*TRI(CYCLOHEXYLAMMO NIUM)
PHOSPHOENOLPYRUVIC ACID TRIS(CYCLOHEXYL-AMINE) SALT, CRYST.
2-(Phosphonooxy)-2-propenoic acid tri(cyclohexylammonium) salt, PEP-3CHA, Phosphoenolpyruvic acid tris(cyclohexylamine) salt
[EINECS(EC#)]

252-618-7
[Molecular Formula]

C21H44N3O6P
[MDL Number]

MFCD00004258
[Molecular Weight]

465.56
[MOL File]

35556-70-8.mol
Chemical PropertiesBack Directory
[Appearance]

white crystalline powder
[Melting point ]

197-198 °C
[storage temp. ]

2-8°C
[solubility ]

almost transparency in Methanol
[form ]

Powder
[color ]

White
[Water Solubility ]

water: 100mg/mL, clear to slightly hazy, colorless to faintly yellow
[BRN ]

3752336
[InChI]

InChI=1S/3C6H13N.C3H5O6P/c3*7-6-4-2-1-3-5-6;1-2(3(4)5)9-10(6,7)8/h3*6H,1-5,7H2;1H2,(H,4,5)(H2,6,7,8)
[InChIKey]

MJKYGUXBFYGLLM-UHFFFAOYSA-N
[SMILES]

[NH3+]C1CCCCC1.[NH3+]C1CCCCC1.[NH3+]C1CCCCC1.P(OC(C([O-])=O)=C)([O-])([O-])=O
[CAS DataBase Reference]

35556-70-8(CAS DataBase Reference)
[EPA Substance Registry System]

2-(Phosphonooxy)acrylic acid compd. with cyclohexylamine (1:3) (35556-70-8)
Safety DataBack Directory
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[F ]

10-21
[TSCA ]

Yes
[HS Code ]

29213000
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

white crystalline powder
[Uses]

Metabolic intermediate in many kinase reactions
[General Description]

Phospho(enol)pyruvic acid is a highly functionalized small molecule. It plays a major role in the metabolism.
[Biochem/physiol Actions]

Phospho(enol)pyruvic acid is significant in high-phosphate group-transfer function. PEP plays a major role in PEP:sugar phosphotransferase system (PTS) mediated phosphorylation and transport of carbohydrates across the bacterial membrane. It functions to generate natural phosphonates catalyzed by PEP mutase. It plays a key role in the peptidoglycan cell wall biosynthesis.
[Purification Methods]

Recrystallise it from aqueous Me2CO and dry it in a vacuum. At 4o it is stable for >2 years and has IR at 1721cm-1 (C=O). [Wold & Ballou J Biol Chem 227 301 1957, Clark & Kirby Biochemical Preparations 11 103 1966 for the monocyclohexylamine salt, Beilstein 12 IV 8.]
Spectrum DetailBack Directory
[Spectrum Detail]

PHOSPHOENOLPYRUVIC ACID TRIS(CYCLOHEXYLAMMONIUM) SALT(35556-70-8)1HNMR
PHOSPHOENOLPYRUVIC ACID TRIS(CYCLOHEXYLAMMONIUM) SALT(35556-70-8)IR1
PHOSPHOENOLPYRUVIC ACID TRIS(CYCLOHEXYLAMMONIUM) SALT(35556-70-8)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

35556-70-8(sigmaaldrich)
[TCI AMERICA]

Phosphoenolpyruvate Tris(cyclohexylammonium) Salt,>98.0%(T)(35556-70-8)
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