Hydroxocobalamine acetate

Base Information

• Chemical Name: Hydroxocobalamine acetate
• CAS No.: 22465-48-1
• Molecular Formula: C64H91CoN13O16P
• Molecular Weight: 1388.39
• Hs Code.: 2936260000
• European Community (EC) Number: 245-019-7
• NCI Thesaurus Code: C77156
• RXCUI: 236302
• Mol file: 22465-48-1.mol

Synonyms:Twelvmin;Fresmin S;Cobalamin, acetato-;ACETATOCOBALAMIN;Hydroxocobalamin acetate;Hydroxocobalamine acetate;EINECS 245-019-7;NCGC00181318-01;LS-54604;Co(Acetato-kappaO)cobinamide dihydrogen phosphate (ester), inner salt, 3'-ester with (5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole-kappaN3);Cobinamide, acetate (salt) hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosylbenzimidazole;Cobinamide, Co(acetato-kappaO)-, dihydrogen phosphate (ester), inner salt, 3'-ester with (5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole-kappaN3)

Chemical Property of Hydroxocobalamine acetate

Chemical Property:

• Melting Point: >3000C.
• PSA: 490.17000
• LogP: 6.62930
• Storage Temp.: 2-8°C
• Solubility.: Soluble in water. Some decomposition may occur on drying.
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 26
• Exact Mass: 1388.585454
• Heavy Atom Count: 95
• Complexity: 3260

Purity/Quality:

96%-102% ^*data from raw suppliers

Hydroxocobalamin acetate ^*data from reagent 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.CC(=O)O.[Co]
• 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)CC[C@@]\4(C(C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](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.CC(=O)O.[Co]
• Uses: Physiological analog of vitamin B12 where the CN group is replaced with OH. Exists in aqueous solution as an equilibrium mixture of the hydroxy isomer and the ionic aqua isomer (aquacobalamin). Precursor of the coenzymes methylcobalamin and cobamamide. Coordination Compound Physiological analog of vitamin B12 where the CN group is replaced with OH. Exists in aqueous solution as an equilibrium mixture of the hydroxy isomer and the ionic aqua isomer (aquacobalamin). Precursor of the coenzymes methylcobalamin and cobamamide. Coordination Compound. Vitamin (hematopoietic).