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

Systemtic Name: [(2R,3R,4R,5S,6R)-4-decoxy-6-[[(2R,3R,4R,5R,6R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[(Z)-octadec-11-enoxy]-5-phosphonooxy-oxan-2-yl]oxymethyl]-5-oxidanyl-3-(3-oxidanylidenetetradecanoylamino)oxan-2-yl] dihydrogen phosphate Openeye Name: [(2R,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-[[(2R,3R,4R,5R,6R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[(Z)-octadec-11-enoxy]-5-phosphonooxy-tetrahydropyran-2-yl]oxymethyl]-3-(3-oxotetradecanoylamino)tetrahydropyran-2-yl] dihydrogen phosphate CAS Name: [(2R,3R,4R,5S,6R)-4-decoxy-3-(1,3-dioxotetradecylamino)-5-hydroxy-6-[[(2R,3R,4R,5R,6R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[(Z)-octadec-11-enoxy]-5-phosphonooxy-2-oxanyl]oxymethyl]-2-oxanyl] dihydrogen phosphate IUPAC Name: [(2R,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-[[(2R,3R,4R,5R,6R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[(Z)-octadec-11-enoxy]-5-phosphonooxyoxan-2-yl]oxymethyl]-3-(3-oxotetradecanoylamino)oxan-2-yl] dihydrogen phosphate Traditional Name: [(2R,3R,4R,5S,6R)-4-decoxy-5-hydroxy-3-(3-ketotetradecanoylamino)-6-[[(2R,3R,4R,5R,6R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[(Z)-octadec-11-enoxy]-5-phosphonooxy-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl] dihydrogen phosphate Formula: C66H127NO19P2 MolecularWeight: 1300.657402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)CC(=O)NC1C(C(C(OC1OP(=O)(O)O)COC2C(C(C(C(O2)COC)OP(=O)(O)O)OCCC(CCCCCCC)OC)OCCCCCCCCCCC=CCCCCCC)O)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)CC(=O)N[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)OCCCCCCCCCC/C=C\CCCCCC)O)OCCCCCCCCCC

InChI

InChI=1S/C66H127NO19P2/c1-7-11-15-19-22-25-26-27-28-29-30-31-33-36-40-44-49-80-64-63(81-50-47-55(78-6)46-42-37-18-14-10-4)61(85-87(71,72)73)57(52-77-5)84-66(64)82-53-56-60(70)62(79-48-43-39-35-24-21-17-13-9-3)59(65(83-56)86-88(74,75)76)67-58(69)51-54(68)45-41-38-34-32-23-20-16-12-8-2/h25-26,55-57,59-66,70H,7-24,27-53H2,1-6H3,(H,67,69)(H2,71,72,73)(H2,74,75,76)/b26-25-/t55-,56-,57-,59-,60-,61-,62-,63+,64-,65-,66-/m1/s1