l-Histidinol phosphate

Base Information

• Chemical Name: l-Histidinol phosphate
• CAS No.: 25679-93-0
• Molecular Formula: C6H12 N3 O4 P
• Molecular Weight: 221.153
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID00948559
• Nikkaji Number: J540.521A
• Wikidata: Q27102169
• Metabolomics Workbench ID: 50731
• Mol file: 25679-93-0.mol

Synonyms:l-histidinol phosphate;25679-93-0;Histidinol phosphate;histidinol-P;L-histidinol-phosphate;L-histidinol-p;(2S)-2-amino-3-(1H-imidazol-4-yl)propyl dihydrogen phosphate;PHOSPHORIC ACID MONO-[2-AMINO-3-(3H-IMIDAZOL-4-YL)-PROPYL]ESTER;histidinol-phosphate;SCHEMBL704416;CHEBI:16996;DTXSID00948559;DB03997;beta-amino-dihydrogen phosphate (ester) (S);C01100;Q27102169;Imidazole-4-propanol-beta-amino-dihydrogen phosphate-L-;[(2S)-2-amino-3-(1H-imidazol-4-yl)propoxy]phosphonic acid;A05605A5-B21B-458B-8737-148949E06248;Imidazole-4-propanol, beta-amino-, dihydrogen phosphate, L- (8CI);1H-Imidazole-4-propanol, beta-amino-, dihydrogen phosphate (ester), (S)-;1H-Imidazole-4-propanol, beta-amino-, dihydrogen phosphate (ester), (betaS)- (9CI);1H-imidazole-5-propanol, beta-amino-, dihydrogen phosphate (ester), (betaS)-

Chemical Property of l-Histidinol phosphate

Chemical Property:

• Vapor Pressure: 4.32E-15mmHg at 25°C
• Boiling Point: 596.8°C at 760 mmHg
• PKA: 1.75±0.10(Predicted)
• Flash Point: 314.7°C
• PSA: 131.27000
• Density: 1.581g/cm³
• LogP: 0.08910
• Storage Temp.: ?20°C
• XLogP3: -4.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 221.05654287
• Heavy Atom Count: 14
• Complexity: 221

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NC=N1)CC(COP(=O)(O)O)N
• Isomeric SMILES: C1=C(NC=N1)C[C@@H](COP(=O)(O)O)N

Technology Process of l-Histidinol phosphate

There total 2 articles about l-Histidinol phosphate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2-(S)-amino-3-(1H-imidazol-4(5)-yl)propanol dihydrochloride (1596-64-1) → L-histidinol 1-phosphate (25679-93-0)

Guidance literature:

2-(S)-amino-3-(1H-imidazol-4⁽⁵⁾-yl)propanol dihydrochloride; for 1h; Heating;

With barium(II) hydroxide; In water; pH=7.5; Cooling;

DOI:10.1021/bi902018y

Reference yield:

Phosphoric acid mono-[3-(1H-imidazol-4-yl)-2-oxo-propyl] ester → L-histidinol 1-phosphate (25679-93-0)

Guidance literature:

With α-ketoglutaric acid; L-glutamic acid; histidinol phosphate aminotransferase; Enzymatic reaction;

DOI:10.1021/acs.biochem.9b00579

Reference yield:

L-histidinol 1-phosphate (25679-93-0) → (S)-histidinol (4836-52-6)

Guidance literature:

With L-histidinol-phosphatephosphohydrolase; In water; Enzymatic reaction;

DOI:10.1021/acs.biochem.9b00579

upstream raw materials:

2-(S)-amino-3-(1H-imidazol-4⁽⁵⁾-yl)propanol dihydrochloride

Downstream raw materials:

(S)-histidinol

Refernces

• 1、 Wang, Liangbing,Huang, Hua,Nguyen, Henry H.,Allen, Karen N.,Mariano, Patrick S.,Dunaway-Mariano, Debra. "Divergence of biochemical function in the HAD superfamily: D-glycero-D-manno-heptose-1,7-bisphosphate phosphatase (GmhB)". experimental part. p. 1072 - 1081. Retrieved 2010/11/21.