2-[(2R,3S,4R,5S,6R)-6-(hydroxymethyl)-3-[[(3R)-3-oxidanyltetradecanoyl]amino]-5-phosphonooxy-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]ethanoic acid

Systemtic Name: 2-[(2R,3S,4R,5S,6R)-6-(hydroxymethyl)-3-[[(3R)-3-oxidanyltetradecanoyl]amino]-5-phosphonooxy-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]ethanoic acid Openeye Name: 2-[(2R,3S,4R,5S,6R)-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxy-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxy-tetrahydropyran-2-yl]acetic acid CAS Name: 2-[(2R,3S,4R,5S,6R)-6-(hydroxymethyl)-3-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-4-[(3R)-1-oxo-3-(1-oxotetradecoxy)tetradecoxy]-5-phosphonooxy-2-oxanyl]acetic acid IUPAC Name: 2-[(2R,3S,4R,5S,6R)-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxy-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxyoxan-2-yl]acetic acid Traditional Name: 2-[(2R,3S,4R,5S,6R)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-6-methylol-5-phosphonooxy-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxy-tetrahydropyran-2-yl]acetic acid Formula: C50H94NO14P MolecularWeight: 964.253421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(O)O)CO)CC(=O)O)NC(=O)CC(CCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1OP(=O)(O)O)CO)CC(=O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O

InChI

InChI=1S/C50H94NO14P/c1-4-7-10-13-16-19-20-23-26-29-32-35-46(57)62-41(34-31-28-25-22-18-15-12-9-6-3)37-47(58)64-50-48(42(38-45(55)56)63-43(39-52)49(50)65-66(59,60)61)51-44(54)36-40(53)33-30-27-24-21-17-14-11-8-5-2/h40-43,48-50,52-53H,4-39H2,1-3H3,(H,51,54)(H,55,56)(H2,59,60,61)/t40-,41-,42-,43-,48+,49-,50-/m1/s1