Cytidylyl(5'.3')cytidylyl(5'.3')adenosine

Base Information

• Chemical Name: Cytidylyl(5'.3')cytidylyl(5'.3')adenosine
• CAS No.: 3128-37-8
• Molecular Formula: C28H37 N11 O18 P2
• Molecular Weight: 877.6
• European Community (EC) Number: 221-513-8
• DSSTox Substance ID: DTXSID201260190
• Nikkaji Number: J217.284D
• Mol file: 3128-37-8.mol

Synonyms:3128-37-8;Cytidylyl(5'.3')cytidylyl(5'.3')adenosine;EINECS 221-513-8;DTXSID201260190;C28H37N11O18P2;C28-H37-N11-O18-P2;3'-O-[3'-O-(5'-Cytidylyl)-5'-cytidylyl]adenosine;Adenylyl-(3'-->5')-cytidylyl-(3'-->5')-cytidine;ADENYLYL(3-5)CYTIDYLYL(3-5)CYTIDINE FREE ACID;Cytidylyl(5'.fwdarw.3')cytidylyl(5'.fwdarw.3')adenosine

Chemical Property of Cytidylyl(5'.3')cytidylyl(5'.3')adenosine

Chemical Property:

• Boiling Point: 1240.8°Cat760mmHg
• Flash Point: 704.2°C
• PSA: 453.40000
• Density: 2.28g/cm³
• LogP: -3.51480
• Storage Temp.: −20°C
• XLogP3: -9
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 14
• Exact Mass: 877.17932737
• Heavy Atom Count: 59
• Complexity: 1830

Purity/Quality:

97% ^*data from raw suppliers

ADENYLYL(3'-5')CYTIDYLYL(3'-5')CYTIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=NC4=O)N)COP(=O)(O)OC5C(OC(C5O)N6C=NC7=C(N=CN=C76)N)CO)O)O
• Isomeric SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=NC4=O)N)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=NC7=C(N=CN=C76)N)CO)O)O