[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R,6S)-3,6-bis(oxidanyl)-5-[[(3R)-3-oxidanylicosanoyl]amino]-4-tetradecanoyloxy-oxan-2-yl]methoxy]-2-(hydroxymethyl)-5-[[(3R)-3-oxidanylicosanoyl]amino]-4-tetradecanoyloxy-oxan-3-yl] hydrogen phosphate

Systemtic Name: [(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R,6S)-3,6-bis(oxidanyl)-5-[[(3R)-3-oxidanylicosanoyl]amino]-4-tetradecanoyloxy-oxan-2-yl]methoxy]-2-(hydroxymethyl)-5-[[(3R)-3-oxidanylicosanoyl]amino]-4-tetradecanoyloxy-oxan-3-yl] hydrogen phosphate Openeye Name: [(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R,6S)-3,6-dihydroxy-5-[[(3R)-3-hydroxyicosanoyl]amino]-4-tetradecanoyloxy-tetrahydropyran-2-yl]methoxy]-5-[[(3R)-3-hydroxyicosanoyl]amino]-2-(hydroxymethyl)-4-tetradecanoyloxy-tetrahydropyran-3-yl] hydrogen phosphate CAS Name: [(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R,6S)-3,6-dihydroxy-5-[[(3R)-3-hydroxy-1-oxoeicosyl]amino]-4-(1-oxotetradecoxy)-2-oxanyl]methoxy]-2-(hydroxymethyl)-5-[[(3R)-3-hydroxy-1-oxoeicosyl]amino]-4-(1-oxotetradecoxy)-3-oxanyl] hydrogen phosphate IUPAC Name: [(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R,6S)-3,6-dihydroxy-5-[[(3R)-3-hydroxyicosanoyl]amino]-4-tetradecanoyloxyoxan-2-yl]methoxy]-5-[[(3R)-3-hydroxyicosanoyl]amino]-2-(hydroxymethyl)-4-tetradecanoyloxyoxan-3-yl] hydrogen phosphate Traditional Name: [(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R,6S)-3,6-dihydroxy-5-[[(3R)-3-hydroxyeicosanoyl]amino]-4-tetradecanoyloxy-tetrahydropyran-2-yl]methoxy]-5-[[(3R)-3-hydroxyeicosanoyl]amino]-2-methylol-4-tetradecanoyloxy-tetrahydropyran-3-yl] hydrogen phosphate Formula: C80H152N2O18P- MolecularWeight: 1461.039241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1O)COC2C(C(C(C(O2)CO)OP(=O)(O)[O-])OC(=O)CCCCCCCCCCCCC)NC(=O)CC(CCCCCCCCCCCCCCCCC)O)O)OC(=O)CCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)[O-])OC(=O)CCCCCCCCCCCCC)NC(=O)C[C@@H](CCCCCCCCCCCCCCCCC)O)O)OC(=O)CCCCCCCCCCCCC)O

InChI

InChI=1S/C80H153N2O18P/c1-5-9-13-17-21-25-29-31-33-35-39-41-45-49-53-57-65(84)61-69(86)81-73-77(98-71(88)59-55-51-47-43-37-27-23-19-15-11-7-3)75(90)68(96-79(73)91)64-95-80-74(82-70(87)62-66(85)58-54-50-46-42-40-36-34-32-30-26-22-18-14-10-6-2)78(76(67(63-83)97-80)100-101(92,93)94)99-72(89)60-56-52-48-44-38-28-24-20-16-12-8-4/h65-68,73-80,83-85,90-91H,5-64H2,1-4H3,(H,81,86)(H,82,87)(H2,92,93,94)/p-1/t65-,66-,67-,68-,73-,74-,75-,76-,77-,78-,79+,80-/m1/s1