Cyclic cmp

Base Information

• Chemical Name: Cyclic cmp
• CAS No.: 3616-08-8
• Molecular Formula: C9H12N3O7P
• Molecular Weight: 305.184
• DSSTox Substance ID: DTXSID10957571
• Nikkaji Number: J413.990I
• Wikidata: Q27076941
• Pharos Ligand ID: 8L997CGBQ6PF
• Metabolomics Workbench ID: 50756
• ChEMBL ID: CHEMBL72442
• Mol file: 3616-08-8.mol

Synonyms:CMP, Cyclic;Cyclic CMP;Cyclic CMP, Monosodium Salt;Cyclic Monophosphate, Cytidine;Cyclic-3',5'-Monophosphate, Cytidine;Cytidine Cyclic 3',5' Monophosphate;Cytidine Cyclic 3,5 Monophosphate;Cytidine Cyclic Monophosphate;Cytidine Cyclic-3',5'-Monophosphate;Monophosphate, Cytidine Cyclic

Chemical Property of Cyclic cmp

Chemical Property:

• Appearance/Colour: White crystalline powder
• Boiling Point: 580.6 °C at 760 mmHg
• PKA: 0.97±0.60(Predicted)
• Flash Point: 305 °C
• PSA: 155.94000
• Density: 2.28 g/cm³
• LogP: -0.81920
• Storage Temp.: Store at 0°C
• XLogP3: -3.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 305.04128673
• Heavy Atom Count: 20
• Complexity: 550

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C2C(C(C(O2)N3C=CC(=NC3=O)N)O)OP(=O)(O1)O
• Isomeric SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)OP(=O)(O1)O

Technology Process of Cyclic cmp

There total 4 articles about Cyclic cmp 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: 68.0%

cytidine monophosphate (63-37-6,30811-80-4) → 3',5'-cyclic cytidine monophosphate (3616-08-8)

Guidance literature:

With dicyclohexyl-carbodiimide;

Reference yield:

cytidine triphosphate (65-47-4,13191-15-6) → 3',5'-cyclic cytidine monophosphate (3616-08-8)

Guidance literature:

With manganese(II) chloride tetrahydrate; full-length adenylyl cyclase toxin edema factor from Bacillus anthracis; at 37 ℃; for 0.333333h; Reagent/catalyst; Kinetics; aq. buffer;

DOI:10.1021/bi100684g

Reference yield:

→ 3',5'-cyclic cytidine monophosphate (3616-08-8)

Guidance literature:

Pyridinium-Salz des N-Benzoyl-guanosin-5'-phosphat, 1. Dicyclohexylcarbodiimid, Morpholin-(4)-N,N'-dicyclohexyl-carboxamidin, sd. Py., 2. konz. NH3, 25grad, 15h;

DOI:10.1021/ja01464a039

upstream raw materials:

cytidine monophosphate

cytidine triphosphate

Downstream raw materials:

cytidine monophosphate

N⁴,O^2'-di-isobutyrylcytidine cyclic 3',5'-phosphoranilidate (S(P))

N⁴,O^2'-di-isobutyrylcytidine cyclic 3',5'-phosphoranilidate (R(P))

cytidine 3'-monophosphate

Refernces

• 1、 Baraniak, Janina,Mejbaum, Piotr,Stec, Wojciech J.. "DIASTEREOMERIC NUCLEOSIDE CYCLIC 3',5'-PHOSPHOROTHIOATES. SYNTHESES AND CONFIGURATIONAL ASSIGNMENTS OF URIDINE AND CYTIDINE DERIVATIVES". . p. 441 - 443. Retrieved 2007/10/02.