[1-[[4-[1,3-bis(oxidanyl)decoxy]-6-ethyl-2-[[3-oxidanyl-4-(3-oxidanyldecanoyloxy)-5-(3-oxidanylidenetetradecanoylamino)-6-phosphonooxy-oxan-2-yl]methoxy]-5-phosphonooxy-oxan-3-yl]amino]-1-oxidanyl-tetradecan-3-yl] tetradecanoate

Systemtic Name: [1-[[4-[1,3-bis(oxidanyl)decoxy]-6-ethyl-2-[[3-oxidanyl-4-(3-oxidanyldecanoyloxy)-5-(3-oxidanylidenetetradecanoylamino)-6-phosphonooxy-oxan-2-yl]methoxy]-5-phosphonooxy-oxan-3-yl]amino]-1-oxidanyl-tetradecan-3-yl] tetradecanoate Openeye Name: 1-[2-[[4-(1,3-dihydroxydecoxy)-6-ethyl-2-[[3-hydroxy-4-(3-hydroxydecanoyloxy)-5-(3-oxotetradecanoylamino)-6-phosphonooxy-tetrahydropyran-2-yl]methoxy]-5-phosphonooxy-tetrahydropyran-3-yl]amino]-2-hydroxy-ethyl]dodecyl tetradecanoate CAS Name: tetradecanoic acid [1-[[4-(1,3-dihydroxydecoxy)-2-[[5-(1,3-dioxotetradecylamino)-3-hydroxy-4-(3-hydroxy-1-oxodecoxy)-6-phosphonooxy-2-oxanyl]methoxy]-6-ethyl-5-phosphonooxy-3-oxanyl]amino]-1-hydroxytetradecan-3-yl] ester IUPAC Name: [1-[[4-(1,3-dihydroxydecoxy)-6-ethyl-2-[[3-hydroxy-4-(3-hydroxydecanoyloxy)-5-(3-oxotetradecanoylamino)-6-phosphonooxyoxan-2-yl]methoxy]-5-phosphonooxyoxan-3-yl]amino]-1-hydroxytetradecan-3-yl] tetradecanoate Traditional Name: myristic acid 1-[2-[[4-(1,3-dihydroxydecoxy)-6-ethyl-2-[[3-hydroxy-4-(3-hydroxydecanoyloxy)-5-(3-ketotetradecanoylamino)-6-phosphonooxy-tetrahydropyran-2-yl]methoxy]-5-phosphonooxy-tetrahydropyran-3-yl]amino]-2-hydroxy-ethyl]dodecyl ester Formula: C75H144N2O23P2 MolecularWeight: 1503.892982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(NC1C(C(C(OC1OCC2C(C(C(C(O2)OP(=O)(O)O)NC(=O)CC(=O)CCCCCCCCCCC)OC(=O)CC(CCCCCCC)O)O)CC)OP(=O)(O)O)OC(CC(CCCCCCC)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(NC1C(C(C(OC1OCC2C(C(C(C(O2)OP(=O)(O)O)NC(=O)CC(=O)CCCCCCCCCCC)OC(=O)CC(CCCCCCC)O)O)CC)OP(=O)(O)O)OC(CC(CCCCCCC)O)O)O

InChI

InChI=1S/C75H144N2O23P2/c1-7-13-18-23-26-29-30-33-36-41-46-51-65(83)94-60(50-45-40-35-32-28-25-20-15-9-3)55-64(82)77-69-73(98-67(85)54-59(80)49-43-38-22-17-11-5)71(99-101(87,88)89)61(12-6)95-74(69)93-56-62-70(86)72(97-66(84)53-58(79)48-42-37-21-16-10-4)68(75(96-62)100-102(90,91)92)76-63(81)52-57(78)47-44-39-34-31-27-24-19-14-8-2/h58-62,64,67-75,77,79-80,82,85-86H,7-56H2,1-6H3,(H,76,81)(H2,87,88,89)(H2,90,91,92)