[(2S,3R,5S,6S)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] [(2S)-3-[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]-2-[(7R,11R)-3,7,11,15-tetramethyl-3-oxidanyl-hexadecoxy]propyl] hydrogen phosphate

Systemtic Name: [(2S,3R,5S,6S)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] [(2S)-3-[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]-2-[(7R,11R)-3,7,11,15-tetramethyl-3-oxidanyl-hexadecoxy]propyl] hydrogen phosphate Openeye Name: [(2S)-2-[(7R,11R)-3-hydroxy-3,7,11,15-tetramethyl-hexadecoxy]-3-[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propyl] [(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate CAS Name: [(2S)-2-[(7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecoxy]-3-[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propyl] [(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate IUPAC Name: [(2S)-2-[(7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecoxy]-3-[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propyl] [(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate Traditional Name: [(2S)-2-[(7R,11R)-3-hydroxy-3,7,11,15-tetramethyl-hexadecoxy]-3-[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propyl] [(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate Formula: C49H99O12P MolecularWeight: 911.276921

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OCCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O

Isomeric SMILES

C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCOC[C@@H](COP(=O)(O)OC1[C@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O)OCCC(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O

InChI

InChI=1S/C49H99O12P/c1-35(2)17-11-19-37(5)21-13-23-39(7)24-15-26-41(9)28-31-58-33-42(34-60-62(56,57)61-48-46(53)44(51)43(50)45(52)47(48)54)59-32-30-49(10,55)29-16-27-40(8)25-14-22-38(6)20-12-18-36(3)4/h35-48,50-55H,11-34H2,1-10H3,(H,56,57)/t37-,38-,39-,40-,41-,42+,43?,44-,45+,46+,47+,48?,49?/m1/s1