Analytenname

2,6-Dimethylheptanoyl-CoA Sodium Salt

Molekularformel

C30 H52 N7 O17 P3 S . x(Na)

Molekulargewicht

930.7

SMILES

[Na+].CC(C)CCCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1OP(=O)(O)O)n2cnc3c(N)ncnc23

InChI

InChI=1S/C30H52N7O17P3S.Na/c1-17(2)7-6-8-18(3)29(42)58-12-11-32-20(38)9-10-33-27(41)24(40)30(4,5)14-51-57(48,49)54-56(46,47)50-13-19-23(53-55(43,44)45)22(39)28(52-19)37-16-36-21-25(31)34-15-35-26(21)37;/h15-19,22-24,28,39-40H,6-14H2,1-5H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45);/q;+1/t18?,19-,22-,23-,24-,28-;/m0./s1

IUPAC

sodium;S-[2-[3-[[(2R)-4-[[[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 2,6-dimethylheptanethioate

Abweichende CAS-Nummer

Free acid: 204120-64-9

Lagertemperatur

-20°C

Versandtemperatur

Room Temperature

Herkunftsland

CANADA

Produktformat

Neat