[2,3-didodecoxypropoxy-[(2S,3S,5R,6S)-3,4,5-tris[bis(acetyloxymethoxy)phosphoryloxy]-2,6-bis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxymethyl ethanoate

Systemtic Name: [2,3-didodecoxypropoxy-[(2S,3S,5R,6S)-3,4,5-tris[bis(acetyloxymethoxy)phosphoryloxy]-2,6-bis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxymethyl ethanoate Openeye Name: [2,3-didodecoxypropoxy-[(2S,3S,5R,6S)-3,4,5-tris[bis(acetoxymethoxy)phosphoryloxy]-2,6-dihydroxy-cyclohexoxy]phosphoryl]oxymethyl acetate CAS Name: acetic acid [2,3-didodecoxypropoxy-[(2S,3S,5R,6S)-3,4,5-tris[bis(acetyloxymethoxy)phosphoryloxy]-2,6-dihydroxycyclohexyl]oxyphosphoryl]oxymethyl ester IUPAC Name: [2,3-didodecoxypropoxy-[(2S,3S,5R,6S)-3,4,5-tris[bis(acetyloxymethoxy)phosphoryloxy]-2,6-dihydroxycyclohexyl]oxyphosphoryl]oxymethyl acetate Traditional Name: acetic acid [2,3-dilauryloxypropoxy-[(2S,3S,5R,6S)-3,4,5-tris[bis(acetoxymethoxy)phosphoryloxy]-2,6-dihydroxy-cyclohexoxy]phosphoryl]oxymethyl ester Formula: C54H98O34P4 MolecularWeight: 1415.230564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCC(COP(=O)(OCOC(=O)C)OC1C(C(C(C(C1O)OP(=O)(OCOC(=O)C)OCOC(=O)C)OP(=O)(OCOC(=O)C)OCOC(=O)C)OP(=O)(OCOC(=O)C)OCOC(=O)C)O)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOCC(COP(=O)(OCOC(=O)C)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(OCOC(=O)C)OCOC(=O)C)OP(=O)(OCOC(=O)C)OCOC(=O)C)OP(=O)(OCOC(=O)C)OCOC(=O)C)O)OCCCCCCCCCCCC

InChI

InChI=1S/C54H98O34P4/c1-10-12-14-16-18-20-22-24-26-28-30-68-32-48(69-31-29-27-25-23-21-19-17-15-13-11-2)33-77-89(64,78-34-70-41(3)55)85-51-49(62)52(86-90(65,79-35-71-42(4)56)80-36-72-43(5)57)54(88-92(67,83-39-75-46(8)60)84-40-76-47(9)61)53(50(51)63)87-91(66,81-37-73-44(6)58)82-38-74-45(7)59/h48-54,62-63H,10-40H2,1-9H3/t48?,49-,50-,51?,52-,53+,54?,89?/m0/s1