Co-​(cyano-​κC)​-​Cobinamide dihydrogen phosphate (ester) inner salt 3'-​ester with (1,​3-​dihydro-​5,​6-​dimethyl-​1-​alpha-​D-​ribofuranosyl-​2H-​benzimidazol-​2-​one-​κN3)

Analyte Name

Co-(cyano-kC)-Cobinamide dihydrogen phosphate (ester) inner salt 3'-ester with (1,3-dihydro-5,6-dimethyl-1-alpha-D-ribofuranosyl-2H-benzimidazol-2-one-kN3)

CAS Number

119157-02-7

Molecular Formula

C63 H88 Co N14 O15 P

Molecular Weight

1371.365

Accurate Mass

1370.561

SMILES

CC1CNC(=O)CCC2(C)C(CC(=O)N)C3C4(C)N5C(=C(C)C6=[N]7C(=CC8=[N]9C(=C(C)C2=[N]3[Co+3]579(C#N)[NH]%10C(=O)N(C%11OC(CO)C(OP(=O)([O-])O1)C%11O)c%12cc(C)c(C)cc%10%12)C(CCC(=O)N)C8(C)C)C(CCC(=O)N)C6(C)CC(=O)N)C(CCC(=O)N)C4(C)CC(=O)N

InChI

InChI=1S/C62H90N13O15P.CN.Co/c1-28-20-38-39(21-29(28)2)75(57(85)71-38)56-51(84)52(40(27-76)88-56)90-91(86,87)89-30(3)26-69-48(83)18-19-59(8)36(22-45(66)80)55-62(11)61(10,25-47(68)82)35(14-17-44(65)79)50(74-62)32(5)54-60(9,24-46(67)81)33(12-15-42(63)77)37(70-54)23-41-58(6,7)34(13-16-43(64)78)49(72-41)31(4)53(59)73-55;1-2;/h20-21,23,30,33-36,40,51-52,55-56,76,84H,12-19,22,24-27H2,1-11H3,(H16,63,64,65,66,67,68,69,70,71,72,73,74,77,78,79,80,81,82,83,85,86,87);;/q;;+4/p-2

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat