Acetyl adenylate

Base Information

Chemical Name:Acetyl adenylate
CAS No.:13015-87-7
Molecular Formula:C12H16 N5 O8 P
Molecular Weight:389.261
Hs Code.:
DSSTox Substance ID:DTXSID60156370
Nikkaji Number:J227.896K
Wikidata:Q27104422
Metabolomics Workbench ID:39083
Mol file:13015-87-7.mol

Synonyms:acetyl adenylate;acetyl AMP;acetyladenylate

Suppliers and Price of Acetyl adenylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of Acetyl adenylate

Chemical Property:

Vapor Pressure:6E-23mmHg at 25°C
Boiling Point:739.3°Cat760mmHg
PKA:1.23±0.50(Predicted)
Flash Point:400.9°C
PSA：201.95000
Density:2.07g/cm³
LogP:-0.71100
XLogP3:-2.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:6
Exact Mass:389.07364948
Heavy Atom Count:26
Complexity:584

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O
Isomeric SMILES:CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O

Technology Process of Acetyl adenylate

There total 4 articles about Acetyl adenylate 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: 54.0%

: 108-24-7
acetic anhydride

: 61-19-8,24937-83-5,67583-85-1
5'-adenosine monophosphate

: 13015-87-7
adenosine-5'-phosphoric acetic anhydride

Guidance literature:: With lithium hydroxide; In tetrahydrofuran; pyridine; water; at 27 ℃; for 0.166667h;
DOI:10.1021/jo971874f

Reference yield:

: 64-19-7,77671-22-8
acetic acid

: 61-19-8,24937-83-5,67583-85-1
5'-adenosine monophosphate

: 13015-87-7
adenosine-5'-phosphoric acetic anhydride

Guidance literature:: With pyridine; hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In water; for 3h;
DOI:10.1038/s41589-018-0119-z