Nombre del analito

Acetyl Vitamin B12

Número CAS

855207-36-2

Fórmula molecular

C65 H90 Co N14 O15 P

Peso molecular

1397.40

Masa exacta

1396.578

SMILES

CC1CNC(=O)CCC2(C)C(CC(=O)N)C3C4(C)C(C)(CC(=O)N)C(CCC(=O)N)C5=N4[Co+3]67([C-]#N)(N8=CN(C9OC(COC(=O)C)C(OP(=O)([O-])O1)C9O)c%10cc(C)c(C)cc8%10)N%11=C(C(CCC(=O)N)C(C)(C)C%11=CC%12=N6C(=C5C)C(C)(CC(=O)N)C%12CCC(=O)N)C(=C2[N-]37)C

InChI

InChI=1S/C64H92N13O15P.CN.Co/c1-30-21-41-42(22-31(30)2)77(29-72-41)59-54(86)55(43(90-59)28-89-35(6)78)92-93(87,88)91-32(3)27-71-51(85)19-20-61(9)39(23-48(68)82)58-64(12)63(11,26-50(70)84)38(15-18-47(67)81)53(76-64)34(5)57-62(10,25-49(69)83)36(13-16-45(65)79)40(73-57)24-44-60(7,8)37(14-17-46(66)80)52(74-44)33(4)56(61)75-58;1-2;/h21-22,24,29,32,36-39,43,54-55,58-59,86H,13-20,23,25-28H2,1-12H3,(H15,65,66,67,68,69,70,71,73,74,75,76,79,80,81,82,83,84,85,87,88);;/q;-1;+3/p-2

IUPAC

[(2R,3S,4R,5S)-2-(acetyloxymethyl)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxyoxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-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;cobalt(2+);cyanide

Temperatura de almacenamiento

-20°C

Temperatura de envío

Room Temperature

País de origen

CANADA

Tipo de producto

Impurity

Formato del producto

Neat

Familia API

Vitamin B12