O-Phospho-DL-threonine

Base Information

• Chemical Name: O-Phospho-DL-threonine
• CAS No.: 27530-80-9
• Molecular Formula: C₄H₁₀NO₆P
• Molecular Weight: 199.1
• European Community (EC) Number: 248-512-5
• NSC Number: 89296
• DSSTox Substance ID: DTXSID10912145
• ChEMBL ID: CHEMBL369507
• Mol file: 27530-80-9.mol

Synonyms:O-Phospho-DL-threonine;27530-80-9;O-phosphonothreonine;2-amino-3-phosphonooxybutanoic acid;dl-O-Phosphothreonine;DL-Threonine phosphate;H-Thr(POH)-OH;NSC89296;DL-Threonine, dihydrogen phosphate (ester);CHEMBL369507;DL-Threonine dihydrogen phosphate;EINECS 248-512-5;Threonine, dihydrogen phosphate (ester), DL-;phosphothreonin;C4-H10-N-O6-P;NSC-89296;(S)-2-Amino-3-hydroxybutanoic acid 3-phosphate;CALCIUMMITIGLINIDE;H-Thr(PO)-OH;bmse000631;DL-2-Amino-3-hydroxybutanoic acid 3-phosphate;SCHEMBL13308410;DTXSID10912145;CHEBI:190018;2-Amino-3-phosphonooxy-butyric acid;BDBM50162817;NSC 89296;AKOS015856719;HY-W142107;CS-0201891;FT-0628026;FT-0673870;FT-0691533;P0255;J-016803

Chemical Property of O-Phospho-DL-threonine

Chemical Property:

• Melting Point: 184 °C
• Boiling Point: 454.0±55.0 °C(Predicted)
• PKA: 1.73±0.10(Predicted)
• PSA: 139.89000
• Density: 1.671±0.06 g/cm3(Predicted)
• LogP: -0.40360
• Storage Temp.: −20°C
• XLogP3: -4.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 199.02457404
• Heavy Atom Count: 12
• Complexity: 212

Purity/Quality:

98%,99%, ^*data from raw suppliers

O-Phospho-DL-threonine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 38
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C(C(=O)O)N)OP(=O)(O)O
• Uses: O-Phospho-DL-threonine was identified via GC-MS as a metabolomic analyte in lung cancer patients with chronic obstructive pulmonary disease.

Technology Process of O-Phospho-DL-threonine

There total 3 articles about O-Phospho-DL-threonine 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:

→ O-phospho-DL-threonine (1114-81-4,27530-80-9,96193-69-0)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/ja01118a524

Reference yield:

DL-threonine (80-68-2,134357-96-3,7013-32-3,82822-12-6) → O-phospho-DL-threonine (1114-81-4,27530-80-9,96193-69-0)

Guidance literature:

With phosphoric acid; phosphorus pentoxide;

Reference yield:

→ O-phospho-DL-threonine (1114-81-4,27530-80-9,96193-69-0)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

DL-threonine

Downstream raw materials:

2-Oxobutyric acid

phosphoric acid

L-threonine

O-phospho-D-threonine