Deoxyadenosylcobalamin

Base Information

• Chemical Name: Deoxyadenosylcobalamin
• CAS No.: 13870-90-1
• Molecular Formula: C72H100CoN18O17P
• Molecular Weight: 1579.66
• Hs Code.: 2936260000
• European Community (EC) Number: 237-627-6
• DSSTox Substance ID: DTXSID1046009
• NCI Thesaurus Code: C169859
• Mol file: 13870-90-1.mol

Synonyms:3',4'-anhydroadenosylcobalamin;5'-deoxyadenosylcobalamin;adenosylcobalamin;AdoCbl;cobamamide;coenzyme B12;desoxyadenosylcobalamine;dibencozide;Indusil T;vitamin B12 coenzyme

Chemical Property of Deoxyadenosylcobalamin

Chemical Property:

• PKA: 3.5(at 25℃)
• PSA: 583.18000
• LogP: 6.19200
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Slightly, Sonicated)
• Water Solubility.: 26g/L(24 oC)
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 27
• Rotatable Bond Count: 27
• Exact Mass: 1578.658339
• Heavy Atom Count: 109
• Complexity: 3730

Purity/Quality:

98%min ^*data from raw suppliers

Cobamamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-36-26

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-]C1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.[Co+3]
• Isomeric SMILES: CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](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-][C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.[Co+3]
• Recent EU Clinical Trials: EXPERIMENTAL STUDY, RANDOMIZED, OPEN LABEL, TO EVALUATE THE EFFECT OF DOCOSAHEXAENOIC ACID (DHA) SUPPLEMENTATION VERSUS 5-METHYLTETHRAHYDROFOLATE + B12 VITAMIN AND DHA, IN CYSTIC FIBROSIS PATIENTS AND PANCREATIC INSUFFICIENCY
• Uses: emulsifying agent Coenzyme B12 has been used as a supplement for culturing plasmid variants in in vivo assay of yvrC-lacZ fusions.
• Therapeutic Function: Anabolic, Analgesic

Technology Process of Deoxyadenosylcobalamin

There total 1 articles about Deoxyadenosylcobalamin 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:

→ coenzyme B12 (13870-90-1)

Guidance literature:

2'.3'-O-Isopropiliden-5'-deoxy-adenosyl-cobalamin, 0.1N wss. HCl;