Hydroxocobalamin

Product Name Hydroxocobalamin
CAT No. CS-T-79488
CAS No. 13422-51-0
Category Intermediates
Stock IN-Stock
Mol. Wt. 1346.4 g/mol
Mol. For. C62H89CoN13O15P+
Hazardous This is a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Purity 95%
Smileys C[C@H](OP([O-])(O[C@H]1[C@H]([C@@H](N2C=NC3=CC(C)=C(C=C23)C)O[C@@H]1CO)O)=O)CNC(CC[C@@]4([C@H](C5[N-2]/C4=C(C6=N/C(C(C)([C@@H]6CCC(N)=O)C)=C\C7=N/C([C@@](CC(N)=O)([C@@H]7CCC(N)=O)C)=C(C8=N[C@@]5([C@@](CC(N)=O)([C@@H]8CCC(N)=O)C)C)/C)/C)CC(N)=O)C)=O.[OH2-]
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.O.[Co+2]
InchIKey DQOCFCZRZOAIBN-IQFXPAJWSA-L
Inchl InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+2;/p-2/t31-,34+,35+,36+,37-,41?,52?,53?,56?,57?,59+,60-,61-,62-;;/m0../s1
IUPAC cobalt(2+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2S)-1-[3-[(2R,3R,4Z,7S,9Z,12S,13S,14Z,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-21-id-3-yl]propanoylamino]propan-2-yl] phosphate;hydrate
Controlled No
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