[(2R,3S,4R,5R,6R)-6-[[(2R,3R,4S,5R,6S)-4,5-bis(2-nonoxyethoxy)-3-oxidanyl-6-(2-phosphonooxyethoxy)oxan-2-yl]methoxy]-4-[(3R)-3-methoxydecoxy]-2-(methoxymethyl)-5-[[(Z)-octadec-11-enoyl]amino]oxan-3-yl] dihydrogen phosphate

Systemtic Name: [(2R,3S,4R,5R,6R)-6-[[(2R,3R,4S,5R,6S)-4,5-bis(2-nonoxyethoxy)-3-oxidanyl-6-(2-phosphonooxyethoxy)oxan-2-yl]methoxy]-4-[(3R)-3-methoxydecoxy]-2-(methoxymethyl)-5-[[(Z)-octadec-11-enoyl]amino]oxan-3-yl] dihydrogen phosphate Openeye Name: [(2R,3S,4R,5R,6R)-6-[[(2R,3R,4S,5R,6S)-3-hydroxy-4,5-bis(2-nonoxyethoxy)-6-(2-phosphonooxyethoxy)tetrahydropyran-2-yl]methoxy]-4-[(3R)-3-methoxydecoxy]-2-(methoxymethyl)-5-[[(Z)-octadec-11-enoyl]amino]tetrahydropyran-3-yl] dihydrogen phosphate CAS Name: [(2R,3S,4R,5R,6R)-6-[[(2R,3R,4S,5R,6S)-3-hydroxy-4,5-bis(2-nonoxyethoxy)-6-(2-phosphonooxyethoxy)-2-oxanyl]methoxy]-4-[(3R)-3-methoxydecoxy]-2-(methoxymethyl)-5-[[(Z)-1-oxooctadec-11-enyl]amino]-3-oxanyl] dihydrogen phosphate IUPAC Name: [(2R,3S,4R,5R,6R)-6-[[(2R,3R,4S,5R,6S)-3-hydroxy-4,5-bis(2-nonoxyethoxy)-6-(2-phosphonooxyethoxy)oxan-2-yl]methoxy]-4-[(3R)-3-methoxydecoxy]-2-(methoxymethyl)-5-[[(Z)-octadec-11-enoyl]amino]oxan-3-yl] dihydrogen phosphate Traditional Name: [(2R,3S,4R,5R,6R)-6-[[(2R,3R,4S,5R,6S)-3-hydroxy-4,5-bis(2-nonoxyethoxy)-6-(2-phosphonooxyethoxy)tetrahydropyran-2-yl]methoxy]-4-[(3R)-3-methoxydecoxy]-2-(methoxymethyl)-5-[[(Z)-octadec-11-enoyl]amino]tetrahydropyran-3-yl] dihydrogen phosphate Formula: C66H129NO21P2 MolecularWeight: 1334.672082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOCCOC1C(C(OC(C1OCCOCCCCCCCCC)OCCOP(=O)(O)O)COC2C(C(C(C(O2)COC)OP(=O)(O)O)OCCC(CCCCCCC)OC)NC(=O)CCCCCCCCCC=CCCCCCC)O

Isomeric SMILES

CCCCCCCCCOCCO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OCCOCCCCCCCCC)OCCOP(=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/C66H129NO21P2/c1-7-11-15-19-22-23-24-25-26-27-28-29-30-34-38-42-58(68)67-59-62(80-46-43-55(77-6)41-37-33-18-14-10-4)61(88-90(73,74)75)57(53-76-5)87-65(59)84-54-56-60(69)63(81-49-47-78-44-39-35-31-20-16-12-8-2)64(66(86-56)83-51-52-85-89(70,71)72)82-50-48-79-45-40-36-32-21-17-13-9-3/h23-24,55-57,59-66,69H,7-22,25-54H2,1-6H3,(H,67,68)(H2,70,71,72)(H2,73,74,75)/b24-23-/t55-,56-,57-,59-,60-,61-,62-,63+,64-,65-,66+/m1/s1