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Product Overview

Product Code

TRC-C304280

Product Format

Neat

Molecular Formula

C30H42N7O18P3S.xNa

Molecular Weight

936.66

Product Categories

TRC

Product Type

Synthesis tool

Documentation

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Product Information

Chemical Data

Analyte Name

(E)-p-Coumaroyl-CoA Sodium Salt

Molecular Formula

C30H42N7O18P3S.xNa

Molecular Weight

936.66

Accurate Mass

936.1418

SMILES

O[C@H]([C@@H]1OP(O)(O)=O)[C@@H](O[C@@H]1COP(OP(OCC(C)([C@@H](O)C(NCCC(NCCSC(/C=C/C2=CC=C(O)C=C2)=O)=O)=O)C)(O)=O)(O)=O)N3C4=C(C(N)=NC=N4)N=C3.[Na]

InChI

InChI=1S/C30H42N7O18P3S.Na/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37;/h3-8,15-16,19,23-25,29,38,41-42H,9-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46);/b8-5+;/t19-,23-,24-,25+,29-;/m1./s1

IUPAC

S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) (E)-3-(4-hydroxyphenyl)prop-2-enethioate, sodium salt

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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