6-[1,2-bis(oxidanyl)ethyl]-2-[2-[1,2-bis(oxidanyl)ethyl]-6-carboxylato-6-[[6-[[5-(3-hexadecanoyloxytetradecanoylamino)-3-oxidanyl-4-(3-oxidanyltetradecanoyloxy)-6-phosphonatooxy-oxan-2-yl]methoxy]-5-(3-oxidanyltetradecanoylamino)-4-(3-oxidanyltetradecanoyloxy)-3-phosphonatooxy-oxan-2-yl]methoxy]-4-oxidanyl-oxan-3-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylate

Systemtic Name: 6-[1,2-bis(oxidanyl)ethyl]-2-[2-[1,2-bis(oxidanyl)ethyl]-6-carboxylato-6-[[6-[[5-(3-hexadecanoyloxytetradecanoylamino)-3-oxidanyl-4-(3-oxidanyltetradecanoyloxy)-6-phosphonatooxy-oxan-2-yl]methoxy]-5-(3-oxidanyltetradecanoylamino)-4-(3-oxidanyltetradecanoyloxy)-3-phosphonatooxy-oxan-2-yl]methoxy]-4-oxidanyl-oxan-3-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylate Openeye Name: 2-[6-carboxylato-2-(1,2-dihydroxyethyl)-6-[[6-[[5-(3-hexadecanoyloxytetradecanoylamino)-3-hydroxy-4-(3-hydroxytetradecanoyloxy)-6-phosphonatooxy-tetrahydropyran-2-yl]methoxy]-5-(3-hydroxytetradecanoylamino)-4-(3-hydroxytetradecanoyloxy)-3-phosphonatooxy-tetrahydropyran-2-yl]methoxy]-4-hydroxy-tetrahydropyran-3-yl]oxy-6-(1,2-dihydroxyethyl)-4,5-dihydroxy-tetrahydropyran-2-carboxylate CAS Name: 2-[[6-carboxylato-2-(1,2-dihydroxyethyl)-4-hydroxy-6-[[6-[[3-hydroxy-4-(3-hydroxy-1-oxotetradecoxy)-5-[[1-oxo-3-(1-oxohexadecoxy)tetradecyl]amino]-6-phosphonatooxy-2-oxanyl]methoxy]-4-(3-hydroxy-1-oxotetradecoxy)-5-[(3-hydroxy-1-oxotetradecyl)amino]-3-phosphonatooxy-2-oxanyl]methoxy]-3-oxanyl]oxy]-6-(1,2-dihydroxyethyl)-4,5-dihydroxy-2-oxanecarboxylate IUPAC Name: 2-[6-carboxylato-2-(1,2-dihydroxyethyl)-6-[[6-[[5-(3-hexadecanoyloxytetradecanoylamino)-3-hydroxy-4-(3-hydroxytetradecanoyloxy)-6-phosphonatooxyoxan-2-yl]methoxy]-5-(3-hydroxytetradecanoylamino)-4-(3-hydroxytetradecanoyloxy)-3-phosphonatooxyoxan-2-yl]methoxy]-4-hydroxyoxan-3-yl]oxy-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxane-2-carboxylate Traditional Name: 2-[6-carboxylato-2-(1,2-dihydroxyethyl)-6-[[6-[[5-(3-hexadecanoyloxytetradecanoylamino)-3-hydroxy-4-(3-hydroxytetradecanoyloxy)-6-phosphato-tetrahydropyran-2-yl]methoxy]-5-(3-hydroxytetradecanoylamino)-4-(3-hydroxytetradecanoyloxy)-3-phosphato-tetrahydropyran-2-yl]methoxy]-4-hydroxy-tetrahydropyran-3-yl]oxy-6-(1,2-dihydroxyethyl)-4,5-dihydroxy-tetrahydropyran-2-carboxylate Formula: C100H178N2O38P2-6 MolecularWeight: 2078.421442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC1C(C(C(OC1OP(=O)([O-])[O-])COC2C(C(C(C(O2)COC3(CC(C(C(O3)C(CO)O)OC4(CC(C(C(O4)C(CO)O)O)O)C(=O)[O-])O)C(=O)[O-])OP(=O)([O-])[O-])OC(=O)CC(CCCCCCCCCCC)O)NC(=O)CC(CCCCCCCCCCC)O)O)OC(=O)CC(CCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC1C(C(C(OC1OP(=O)([O-])[O-])COC2C(C(C(C(O2)COC3(CC(C(C(O3)C(CO)O)OC4(CC(C(C(O4)C(CO)O)O)O)C(=O)[O-])O)C(=O)[O-])OP(=O)([O-])[O-])OC(=O)CC(CCCCCCCCCCC)O)NC(=O)CC(CCCCCCCCCCC)O)O)OC(=O)CC(CCCCCCCCCCC)O

InChI

InChI=1S/C100H184N2O38P2/c1-6-11-16-21-26-31-32-33-34-39-44-49-54-59-82(114)131-73(58-53-48-43-38-30-25-20-15-10-5)63-81(113)102-85-93(134-83(115)61-71(106)56-51-46-41-36-28-23-18-13-8-3)88(118)78(132-96(85)140-142(126,127)128)68-129-95-86(101-80(112)60-70(105)55-50-45-40-35-27-22-17-12-7-2)94(135-84(116)62-72(107)57-52-47-42-37-29-24-19-14-9-4)92(139-141(123,124)125)79(133-95)69-130-99(97(119)120)65-75(109)90(91(137-99)77(111)67-104)138-100(98(121)122)64-74(108)87(117)89(136-100)76(110)66-103/h70-79,85-96,103-111,117-118H,6-69H2,1-5H3,(H,101,112)(H,102,113)(H,119,120)(H,121,122)(H2,123,124,125)(H2,126,127,128)/p-6