Adeninylethylcobalamin

Base Information

• Chemical Name: Adeninylethylcobalamin
• CAS No.: 59209-78-8
• Molecular Formula: C69H96 Co N18 O14 P
• Molecular Weight: 1491.519701
• Mol file: 59209-78-8.mol

Synonyms:adeninylethylcobalamin

Chemical Property of Adeninylethylcobalamin

Chemical Property:

• PSA: 493.60000
• LogP: 6.27740
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 27
• Exact Mass: 1490.642295
• Heavy Atom Count: 103
• Complexity: 3300

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[CH2-]CN1C=NC2=C(N=CN=C21)N.[Co+3]
• Isomeric SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[CH2-]CN1C=NC2=C(N=CN=C21)N.[Co+3]

Technology Process of Adeninylethylcobalamin

There total 1 articles about Adeninylethylcobalamin 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:

hydroxocob(III)alamin (13422-51-0) + 9-(2-chloroethyl)adenine (19255-48-2) → (adenylethyl)cobalamine (59209-78-8)

Guidance literature:

With NaBH₄; In ethanol; water; Soln. of NaBH4 in water was added to a soln. of hydroxocobalamine in water and 9-(2-chloroethyl)adenine in ethanol, mixt. was stirred for 30 min under N2;; excess NaBH4 was quenched with acetone, excess of the ligand was filtered; soln. was desalted on an Amberlite XAD-2 column; product was purified with a SP-Sephadex column, eluent - H2O; eluate was concd., product was pptd. by addn. of acetone;;

DOI:10.1021/ja00002a022

upstream raw materials:

hydroxocob(III)alamin

9-(2-chloroethyl)adenine

Refernces