[(2R,3R,4S,5R,6R)-4-dodecoxy-6-[[(2R,3R,4R,5S,6R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[[(E)-octadec-9-enoyl]amino]-5-phosphonooxy-oxan-2-yl]oxymethyl]-5-oxidanyl-3-tetradecoxy-oxan-2-yl] dihydrogen phosphate

Systemtic Name: [(2R,3R,4S,5R,6R)-4-dodecoxy-6-[[(2R,3R,4R,5S,6R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[[(E)-octadec-9-enoyl]amino]-5-phosphonooxy-oxan-2-yl]oxymethyl]-5-oxidanyl-3-tetradecoxy-oxan-2-yl] dihydrogen phosphate Openeye Name: [(2R,3R,4S,5R,6R)-4-dodecoxy-5-hydroxy-6-[[(2R,3R,4R,5S,6R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[[(E)-octadec-9-enoyl]amino]-5-phosphonooxy-tetrahydropyran-2-yl]oxymethyl]-3-tetradecoxy-tetrahydropyran-2-yl] dihydrogen phosphate CAS Name: [(2R,3R,4S,5R,6R)-4-dodecoxy-5-hydroxy-6-[[(2R,3R,4R,5S,6R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[[(E)-1-oxooctadec-9-enyl]amino]-5-phosphonooxy-2-oxanyl]oxymethyl]-3-tetradecoxy-2-oxanyl] dihydrogen phosphate IUPAC Name: [(2R,3R,4S,5R,6R)-4-dodecoxy-5-hydroxy-6-[[(2R,3R,4R,5S,6R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[[(E)-octadec-9-enoyl]amino]-5-phosphonooxyoxan-2-yl]oxymethyl]-3-tetradecoxyoxan-2-yl] dihydrogen phosphate Traditional Name: [(2R,3R,4S,5R,6R)-5-hydroxy-4-lauryloxy-6-[[(2R,3R,4R,5S,6R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[[(E)-octadec-9-enoyl]amino]-5-phosphonooxy-tetrahydropyran-2-yl]oxymethyl]-3-myristyloxy-tetrahydropyran-2-yl] dihydrogen phosphate Formula: C68H133NO18P2 MolecularWeight: 1314.727042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1C(C(C(OC1OP(=O)(O)O)COC2C(C(C(C(O2)COC)OP(=O)(O)O)OCCC(CCCCCCC)OC)NC(=O)CCCCCCCC=CCCCCCCCC)O)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC)OP(=O)(O)O)OCC[C@@H](CCCCCCC)OC)NC(=O)CCCCCCC/C=C/CCCCCCCC)O)OCCCCCCCCCCCC

InChI

InChI=1S/C68H133NO18P2/c1-7-11-15-19-22-25-28-30-31-32-33-35-38-42-46-50-60(70)69-61-64(82-54-51-57(79-6)49-45-41-18-14-10-4)63(86-88(72,73)74)59(55-78-5)85-67(61)83-56-58-62(71)65(80-52-47-43-39-36-27-24-21-17-13-9-3)66(68(84-58)87-89(75,76)77)81-53-48-44-40-37-34-29-26-23-20-16-12-8-2/h30-31,57-59,61-68,71H,7-29,32-56H2,1-6H3,(H,69,70)(H2,72,73,74)(H2,75,76,77)/b31-30+/t57-,58-,59-,61-,62-,63-,64-,65+,66-,67-,68-/m1/s1