CID 16218869

Base Information

• Chemical Name: CID 16218869
• CAS No.: 31281-59-1
• Molecular Formula: C₈H₁₄NO₉P*2Na
• Molecular Weight: 345.154
• European Community (EC) Number: 621-780-4
• DSSTox Substance ID: DTXSID10585055
• Mol file: 31281-59-1.mol

Synonyms:31281-59-1;CID 16218869;N-Acetyl-alpha-D-glucosamine 6-phosphate disodium salt;DTXSID10585055;ODFFMCFQIMTMQR-UHFFFAOYSA-N;PUBCHEM_16218869;N-Acetyl-alpha-D-glucosamine 1-phosphate disodium salt, >=95%

Chemical Property of CID 16218869

Chemical Property:

• PSA: 178.42000
• LogP: -2.13150
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 324.04603737
• Heavy Atom Count: 20
• Complexity: 371

Purity/Quality:

99% ^*data from raw suppliers

N-Acetyl-α-D-glucosamine 1-phosphate disodium salt ≥95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 23/24/25-36/37/38
• Safety Statements: 22-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1C(C(C(OC1OP(=O)(O)O)CO)O)O.[Na]

Technology Process of CID 16218869

There total 3 articles about CID 16218869 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-methyl-(3,4,6-tri-O-acetyl-1,2-dideoxy-α-D-glucopyranoso)[1,2-d]-2-oxazoline (10378-06-0,20757-53-3,35954-65-5,123483-77-2,134308-33-1) → sodium N-acetyl-β-glucosamine 1-phosphate (31281-59-1,79184-18-2,92541-50-9,102029-78-7,150400-03-6,150439-43-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 1,2-dichloro-ethane / Ambient temperature

2: H₂

3: de-O-acetylation

With hydrogen; In 1,2-dichloro-ethane;

DOI:10.1016/S0040-4039(01)92910-7

Reference yield:

Acetic acid (2R,3S,4R,5R,6S)-3-acetoxy-2-acetoxymethyl-5-acetylamino-6-(bis-benzyloxy-phosphoryloxy)-tetrahydro-pyran-4-yl ester (79184-08-0) → sodium N-acetyl-β-glucosamine 1-phosphate (31281-59-1,79184-18-2,92541-50-9,102029-78-7,150400-03-6,150439-43-3)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂

2: de-O-acetylation

With hydrogen;

DOI:10.1016/S0040-4039(01)92910-7

Reference yield:

Acetic acid (2R,3S,4R,5R,6S)-3-acetoxy-2-acetoxymethyl-5-acetylamino-6-phosphonooxy-tetrahydro-pyran-4-yl ester (116556-97-9) → sodium N-acetyl-β-glucosamine 1-phosphate (31281-59-1,79184-18-2,92541-50-9,102029-78-7,150400-03-6,150439-43-3)

Guidance literature:

de-O-acetylation;

DOI:10.1016/S0040-4039(01)92910-7

upstream raw materials:

Acetic acid (2R,3S,4R,5R,6S)-3-acetoxy-2-acetoxymethyl-5-acetylamino-6-phosphonooxy-tetrahydro-pyran-4-yl ester

Acetic acid (2R,3S,4R,5R,6S)-3-acetoxy-2-acetoxymethyl-5-acetylamino-6-(bis-benzyloxy-phosphoryloxy)-tetrahydro-pyran-4-yl ester

2-methyl-(3,4,6-tri-O-acetyl-1,2-dideoxy-α-D-glucopyranoso)[1,2-d]-2-oxazoline

Refernces