[(2R,3R,4S,5R,6R)-3,4-didodecoxy-6-[[(2R,3R,4R,5S,6R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[[(Z)-octadec-11-enoyl]amino]-5-phosphonooxy-oxan-2-yl]oxymethyl]-5-oxidanyl-oxan-2-yl] dihydrogen phosphate

Systemtic Name: [(2R,3R,4S,5R,6R)-3,4-didodecoxy-6-[[(2R,3R,4R,5S,6R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[[(Z)-octadec-11-enoyl]amino]-5-phosphonooxy-oxan-2-yl]oxymethyl]-5-oxidanyl-oxan-2-yl] dihydrogen phosphate Openeye Name: [(2R,3R,4S,5R,6R)-3,4-didodecoxy-5-hydroxy-6-[[(2R,3R,4R,5S,6R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[[(Z)-octadec-11-enoyl]amino]-5-phosphonooxy-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl] dihydrogen phosphate CAS Name: [(2R,3R,4S,5R,6R)-3,4-didodecoxy-5-hydroxy-6-[[(2R,3R,4R,5S,6R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[[(Z)-1-oxooctadec-11-enyl]amino]-5-phosphonooxy-2-oxanyl]oxymethyl]-2-oxanyl] dihydrogen phosphate IUPAC Name: [(2R,3R,4S,5R,6R)-3,4-didodecoxy-5-hydroxy-6-[[(2R,3R,4R,5S,6R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[[(Z)-octadec-11-enoyl]amino]-5-phosphonooxyoxan-2-yl]oxymethyl]oxan-2-yl] dihydrogen phosphate Traditional Name: [(2R,3R,4S,5R,6R)-5-hydroxy-3,4-dilauryloxy-6-[[(2R,3R,4R,5S,6R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[[(Z)-octadec-11-enoyl]amino]-5-phosphonooxy-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl] dihydrogen phosphate Formula: C66H129NO18P2 MolecularWeight: 1286.673882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1C(C(OC(C1OCCCCCCCCCCCC)OP(=O)(O)O)COC2C(C(C(C(O2)COC)OP(=O)(O)O)OCCC(CCCCCCC)OC)NC(=O)CCCCCCCCCC=CCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OCCCCCCCCCCCC)OP(=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)CCCCCCCCC/C=C\CCCCCC)O

InChI

InChI=1S/C66H129NO18P2/c1-7-11-15-19-22-25-28-29-30-31-32-33-36-40-44-48-58(68)67-59-62(80-52-49-55(77-6)47-43-39-18-14-10-4)61(84-86(70,71)72)57(53-76-5)83-65(59)81-54-56-60(69)63(78-50-45-41-37-34-26-23-20-16-12-8-2)64(66(82-56)85-87(73,74)75)79-51-46-42-38-35-27-24-21-17-13-9-3/h25,28,55-57,59-66,69H,7-24,26-27,29-54H2,1-6H3,(H,67,68)(H2,70,71,72)(H2,73,74,75)/b28-25-/t55-,56-,57-,59-,60-,61-,62-,63+,64-,65-,66-/m1/s1