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50-Carboxycyanocobalamin (Crude) structure, CAS 26264-28-8

50-Carboxycyanocobalamin (Crude)

CAS Number26264-28-8

Synonyms50-Carboxycyanocobalamin

Molecular FormulaC63H87CoN13O15P

Molecular Weight1356.350

Purity

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Cat. No.: 2A-3177453 Purity:
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Quality Control of [ 26264-28-8 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number26264-28-8
Catalog No.2A-3177453
Chinese Name50-羧基氰钴胺素
Synonyms50-Carboxycyanocobalamin
Molecular FormulaC63H87CoN13O15P
Molecular Weight1356.350
SMILESCC1=C2N=C(C=C3N=C(C(C)=C4[N-]C(C(CC(N)=O)C4(C)CCC(=O)NCC(C)OP(=O)([O-])OC4C(CO)OC(n5cnc6cc(C)c(C)cc65)C4O)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(=O)O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O.[C-]#N.[Co+3]
InChIInChI=1S/C62H88N12O15P.CN.Co/c1-29-20-39-40(21-30(29)2)74(28-69-39)57-52(84)53(41(27-75)87-57)89-90(85,86)88-31(3)26-68-48(81)18-19-59(8)37(22-45(65)78)56-62(11)61(10,25-47(67)80)36(13-16-44(64)77)51(73-62)33(5)55-60(9,24-46(66)79)34(12-15-43(63)76)38(70-55)23-42-58(6,7)35(14-17-49(82)83)50(71-42)32(4)54(59)72-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,75,84H,12-19,22,24-27H2,1-11H3,(H2,63,76)(H2,64,77)(H2,65,78)(H2,66,79)(H2,67,80)(H,68,81)(H,82,83)(H,85,86);;/q2*-1;+3/p-1
InChI KeyKEKAGBDRPDSHOA-UHFFFAOYSA-L
Transport InfoProduct name: cyanocobalamin-e-monocarboxylic acid
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