6-(hydroxymethyl)-5-phosphonooxy-3-(3-tetradecanoyloxytetradecanoylamino)-3-[1-(3-tetradecanoyloxytetradecanoylamino)ethyl]-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-olate

Systemtic Name: 6-(hydroxymethyl)-5-phosphonooxy-3-(3-tetradecanoyloxytetradecanoylamino)-3-[1-(3-tetradecanoyloxytetradecanoylamino)ethyl]-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-olate Openeye Name: 6-(hydroxymethyl)-5-phosphonooxy-3-(3-tetradecanoyloxytetradecanoylamino)-3-[1-(3-tetradecanoyloxytetradecanoylamino)ethyl]-4-(3-tetradecanoyloxytetradecanoyloxy)tetrahydropyran-2-olate CAS Name: 6-(hydroxymethyl)-4-[1-oxo-3-(1-oxotetradecoxy)tetradecoxy]-3-[[1-oxo-3-(1-oxotetradecoxy)tetradecyl]amino]-3-[1-[[1-oxo-3-(1-oxotetradecoxy)tetradecyl]amino]ethyl]-5-phosphonooxy-2-oxanolate IUPAC Name: 6-(hydroxymethyl)-5-phosphonooxy-3-(3-tetradecanoyloxytetradecanoylamino)-3-[1-(3-tetradecanoyloxytetradecanoylamino)ethyl]-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-olate Traditional Name: 6-methylol-5-phosphonooxy-3-(3-tetradecanoyloxytetradecanoylamino)-3-[1-(3-tetradecanoyloxytetradecanoylamino)ethyl]-4-(3-tetradecanoyloxytetradecanoyloxy)tetrahydropyran-2-olate Formula: C92H174N2O17P- MolecularWeight: 1611.342921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC(C)C1(C(C(C(OC1[O-])CO)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC(C)C1(C(C(C(OC1[O-])CO)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C92H174N2O17P/c1-8-14-20-26-32-38-41-47-53-59-65-71-85(98)106-79(68-62-56-50-44-35-29-23-17-11-4)74-83(96)93-78(7)92(94-84(97)75-80(69-63-57-51-45-36-30-24-18-12-5)107-86(99)72-66-60-54-48-42-39-33-27-21-15-9-2)90(89(111-112(103,104)105)82(77-95)109-91(92)102)110-88(101)76-81(70-64-58-52-46-37-31-25-19-13-6)108-87(100)73-67-61-55-49-43-40-34-28-22-16-10-3/h78-82,89-91,95H,8-77H2,1-7H3,(H,93,96)(H,94,97)(H2,103,104,105)/q-1