2-[[(2R,3S,4R,5S)-4-(2-dodecyltetradecanoyloxy)-5-[[(3R)-3-oxidanyltetradecanoyl]amino]-3-phosphonooxy-oxan-2-yl]methoxy]ethanoic acid

Systemtic Name: 2-[[(2R,3S,4R,5S)-4-(2-dodecyltetradecanoyloxy)-5-[[(3R)-3-oxidanyltetradecanoyl]amino]-3-phosphonooxy-oxan-2-yl]methoxy]ethanoic acid Openeye Name: 2-[[(2R,3S,4R,5S)-4-(2-dodecyltetradecanoyloxy)-5-[[(3R)-3-hydroxytetradecanoyl]amino]-3-phosphonooxy-tetrahydropyran-2-yl]methoxy]acetic acid CAS Name: 2-[[(2R,3S,4R,5S)-4-(2-dodecyl-1-oxotetradecoxy)-5-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-3-phosphonooxy-2-oxanyl]methoxy]acetic acid IUPAC Name: 2-[[(2R,3S,4R,5S)-4-(2-dodecyltetradecanoyloxy)-5-[[(3R)-3-hydroxytetradecanoyl]amino]-3-phosphonooxyoxan-2-yl]methoxy]acetic acid Traditional Name: 2-[[(2R,3S,4R,5S)-5-[[(3R)-3-hydroxytetradecanoyl]amino]-4-(2-lauryltetradecanoyloxy)-3-phosphonooxy-tetrahydropyran-2-yl]methoxy]acetic acid Formula: C48H92NO12P MolecularWeight: 906.217341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)OC1C(COC(C1OP(=O)(O)O)COCC(=O)O)NC(=O)CC(CCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)O[C@@H]1[C@H](CO[C@@H]([C@H]1OP(=O)(O)O)COCC(=O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O

InChI

InChI=1S/C48H92NO12P/c1-4-7-10-13-16-19-22-24-27-30-33-40(34-31-28-25-23-20-17-14-11-8-5-2)48(54)60-46-42(37-59-43(38-58-39-45(52)53)47(46)61-62(55,56)57)49-44(51)36-41(50)35-32-29-26-21-18-15-12-9-6-3/h40-43,46-47,50H,4-39H2,1-3H3,(H,49,51)(H,52,53)(H2,55,56,57)/t41-,42+,43-,46-,47-/m1/s1