7-Epi-lincomycin 2,7-Dipalmitate-d62

Analyte Name

7-Epi-lincomycin 2,7-Dipalmitate-d62

Molecular Formula

C50 D62 H32 N2 O8 S

Molecular Weight

945.737

Accurate Mass

945.062

SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O[C@@H](C)[C@@H](NC(=O)C1C[C@@H](CCC)CN1C)[C@H]2O[C@H](SC)[C@@H](OC(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])C(O)[C@H]2O

InChI

InChI=1S/C50H94N2O8S/c1-7-10-12-14-16-18-20-22-24-26-28-30-32-35-42(53)58-39(4)44(51-49(57)41-37-40(34-9-3)38-52(41)5)47-45(55)46(56)48(50(60-47)61-6)59-43(54)36-33-31-29-27-25-23-21-19-17-15-13-11-8-2/h39-41,44-48,50,55-56H,7-38H2,1-6H3,(H,51,57)/t39-,40+,41?,44+,45+,46?,47+,48-,50+/m0/s1/i1D3,2D3,7D2,8D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2,20D2,21D2,22D2,23D2,24D2,25D2,26D2,27D2,28D2,29D2,30D2,31D2,32D2,33D2,35D2,36D2

IUPAC

[(2R,3S,5R,6R)-6-[(1R,2S)-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoyloxy)-1-[[(4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat