[(2R,3R,4R,5S,6R)-2-[2-hexadecyl-2-[[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-oxidanyl-4,5-diphosphonooxy-oxan-2-yl]oxymethyl]octadecoxy]-6-(hydroxymethyl)-3-oxidanyl-5-phosphonooxy-oxan-4-yl] dihydrogen phosphate

Systemtic Name: [(2R,3R,4R,5S,6R)-2-[2-hexadecyl-2-[[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-oxidanyl-4,5-diphosphonooxy-oxan-2-yl]oxymethyl]octadecoxy]-6-(hydroxymethyl)-3-oxidanyl-5-phosphonooxy-oxan-4-yl] dihydrogen phosphate Openeye Name: [(2R,3R,4R,5S,6R)-2-[2-hexadecyl-2-[[(2R,3R,4R,5S,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxy-tetrahydropyran-2-yl]oxymethyl]octadecoxy]-3-hydroxy-6-(hydroxymethyl)-5-phosphonooxy-tetrahydropyran-4-yl] dihydrogen phosphate CAS Name: [(2R,3R,4R,5S,6R)-2-[2-hexadecyl-2-[[(2R,3R,4R,5S,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxy-2-oxanyl]oxymethyl]octadecoxy]-3-hydroxy-6-(hydroxymethyl)-5-phosphonooxy-4-oxanyl] dihydrogen phosphate IUPAC Name: [(2R,3R,4R,5S,6R)-2-[2-hexadecyl-2-[[(2R,3R,4R,5S,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxyoxan-2-yl]oxymethyl]octadecoxy]-3-hydroxy-6-(hydroxymethyl)-5-phosphonooxyoxan-4-yl] dihydrogen phosphate Traditional Name: [(2R,3R,4R,5S,6R)-2-[2-cetyl-2-[[(2R,3R,4R,5S,6R)-3-hydroxy-6-methylol-4,5-diphosphonooxy-tetrahydropyran-2-yl]oxymethyl]octadecoxy]-3-hydroxy-6-methylol-5-phosphonooxy-tetrahydropyran-4-yl] dihydrogen phosphate Formula: C47H96O24P4 MolecularWeight: 1169.145784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)(COC1C(C(C(C(O1)CO)OP(=O)(O)O)OP(=O)(O)O)O)COC2C(C(C(C(O2)CO)OP(=O)(O)O)OP(=O)(O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OP(=O)(O)O)OP(=O)(O)O)O)CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)OP(=O)(O)O)OP(=O)(O)O)O

InChI

InChI=1S/C47H96O24P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-47(32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2,35-64-45-39(50)43(70-74(58,59)60)41(37(33-48)66-45)68-72(52,53)54)36-65-46-40(51)44(71-75(61,62)63)42(38(34-49)67-46)69-73(55,56)57/h37-46,48-51H,3-36H2,1-2H3,(H2,52,53,54)(H2,55,56,57)(H2,58,59,60)(H2,61,62,63)/t37-,38-,39-,40-,41+,42+,43-,44-,45-,46-/m1/s1