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Hydroxocobalamin Acetate

Hydroxocobalamin Acetate / CAS : 22465-48-1

Appearance Deep red solid UN 0
HS 29420000 DG Class 0
Synonyms Vitamin B12a Acetate; Acetato-Cobalami; Acetatocobalamin; Hydroxycobalamine Acetate; Cyanocobalamin Impurity; Hydroxycobalamin Acetate
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Properties

Summary

Formula
C64H91CoN13O16P-
Molecular Mass
1388.39000
Exact Mass
1387.58000
PSA
490.17000
Logp
6.62930
IUPAC
acetic acid;cobalt;[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl]propanoylamino]propan-2-yl phosphate
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@H]([C@@H]5[C@]6([C@@]([C@@H](/C(=C(/C7=N/C(=C\C8=N/C(=C(\C4=N5)/C)/[C@H](C8(C)C)CCC(=O)N)/[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)\C)/[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.CC(=O)O.[Co]

Attribute classification

Matter Classification
organic
Category
Auxiliary > Other Auxiliary Agent
API & Intermediate > Vitamins And Minerals Medicines

Chemical and Physical Properties

Melting Point
>300ºC.
Appearance
Deep red solid

Export information

HS Code
29420000
Export Rebate
13%
UN No.
0
DG-Class
0

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