Appchcl-ppa

Base Information

• Chemical Name: Appchcl-ppa
• CAS No.: 116371-34-7
• Molecular Formula: C21H29 Cl N10 O18 P4
• Molecular Weight: 868.86
• Mol file: 116371-34-7.mol

Synonyms:AppCHCl-ppA;beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate

Chemical Property of Appchcl-ppa

Chemical Property:

• Boiling Point: 1251.0±75.0 °C(Predicted)
• PKA: 0.07±0.10(Predicted)
• PSA: 463.98000
• Density: 2.56±0.1 g/cm3(Predicted)
• LogP: -0.60820
• XLogP3: -7.7
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 26
• Rotatable Bond Count: 14
• Exact Mass: 868.0300298
• Heavy Atom Count: 54
• Complexity: 1550

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)OP(=O)(C(P(=O)(O)O)Cl)O)O)O)N
• Isomeric SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)OP(=O)(C(P(=O)(O)O)Cl)O)O)O)N