3-[6-(hydroxymethyl)-5-phosphonooxy-3-(3-tetradecanoyloxytetradecanoylamino)-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]oxy-2-(3-tetradecanoyloxytetradecanoylamino)propanoic acid; triethylazanium

Systemtic Name: 3-[6-(hydroxymethyl)-5-phosphonooxy-3-(3-tetradecanoyloxytetradecanoylamino)-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]oxy-2-(3-tetradecanoyloxytetradecanoylamino)propanoic acid; triethylazanium Openeye Name: 3-[6-(hydroxymethyl)-5-phosphonooxy-3-(3-tetradecanoyloxytetradecanoylamino)-4-(3-tetradecanoyloxytetradecanoyloxy)tetrahydropyran-2-yl]oxy-2-(3-tetradecanoyloxytetradecanoylamino)propanoic acid; triethylammonium CAS Name: 3-[[6-(hydroxymethyl)-4-[1-oxo-3-(1-oxotetradecoxy)tetradecoxy]-3-[[1-oxo-3-(1-oxotetradecoxy)tetradecyl]amino]-5-phosphonooxy-2-oxanyl]oxy]-2-[[1-oxo-3-(1-oxotetradecoxy)tetradecyl]amino]propanoic acid; triethylammonium IUPAC Name: 3-[6-(hydroxymethyl)-5-phosphonooxy-3-(3-tetradecanoyloxytetradecanoylamino)-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]oxy-2-(3-tetradecanoyloxytetradecanoylamino)propanoic acid; triethylazanium Traditional Name: 3-[6-methylol-5-phosphonooxy-3-(3-tetradecanoyloxytetradecanoylamino)-4-(3-tetradecanoyloxytetradecanoyloxy)tetrahydropyran-2-yl]oxy-2-(3-tetradecanoyloxytetradecanoylamino)propionic acid; triethylammonium Formula: C99H191N3O19P+ MolecularWeight: 1758.558301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC1C(C(C(OC1OCC(C(=O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)CO)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC.CC[NH+](CC)CC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC1C(C(C(OC1OCC(C(=O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)CO)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC.CC[NH+](CC)CC

InChI

InChI=1S/C93H175N2O19P.C6H15N/c1-7-13-19-25-31-37-40-46-52-58-64-70-85(99)109-78(67-61-55-49-43-34-28-22-16-10-4)73-83(97)94-81(92(103)104)77-108-93-89(95-84(98)74-79(68-62-56-50-44-35-29-23-17-11-5)110-86(100)71-65-59-53-47-41-38-32-26-20-14-8-2)91(90(82(76-96)112-93)114-115(105,106)107)113-88(102)75-80(69-63-57-51-45-36-30-24-18-12-6)111-87(101)72-66-60-54-48-42-39-33-27-21-15-9-3;1-4-7(5-2)6-3/h78-82,89-91,93,96H,7-77H2,1-6H3,(H,94,97)(H,95,98)(H,103,104)(H2,105,106,107);4-6H2,1-3H3/p+1