Analyte Name

3-(25-Hydroxy Vitamin D3)propylamino-PEG6-MTS

Molecular Formula

C49H86N2O12S2

Molecular Weight

959.35

Accurate Mass

958.56

SMILES

[H][C@]1([C@H](C)CCCC(O)(C)C)CC[C@@]([C@]1(C)CCC/2)([H])C2=C\C=C(C[C@@H](OCCCNC(CCOCCOCCOCCOCCOCCOCCNC(CCSS(=O)(C)=O)=O)=O)CC3)/C3=C

InChI

InChI=1S/C49H86N2O12S2/c1-39-12-15-43(38-42(39)14-13-41-11-8-21-49(5)44(16-17-45(41)49)40(2)10-7-20-48(3,4)54)63-24-9-22-50-46(52)18-25-57-27-29-59-31-33-61-35-36-62-34-32-60-30-28-58-26-23-51-47(53)19-37-64-65(6,55)56/h13-14,40,43-45,54H,1,7-12,15-38H2,2-6H3,(H,50,52)(H,51,53)/b41-13+,42-14-/t40?,43-,44+,45-,49?/m0/s1

IUPAC

S-(29-(((S,Z)-3-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexyl)oxy)-3,25-dioxo-7,10,13,16,19,22-hexaoxa-4,26-diazanonacosyl) methanesulfonothioate

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Format

Neat