[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] 2,3-bis(3,7,11,15-tetramethylhexadecoxy)propyl hydrogen phosphate

Systemtic Name: [(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] 2,3-bis(3,7,11,15-tetramethylhexadecoxy)propyl hydrogen phosphate Openeye Name: [(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 2,3-bis(3,7,11,15-tetramethylhexadecoxy)propyl hydrogen phosphate CAS Name: [(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl] 2,3-bis(3,7,11,15-tetramethylhexadecoxy)propyl hydrogen phosphate IUPAC Name: [(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,3-bis(3,7,11,15-tetramethylhexadecoxy)propyl hydrogen phosphate Traditional Name: [(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl] 2,3-bis(3,7,11,15-tetramethylhexadecoxy)propyl hydrogen phosphate Formula: C51H102NO11P MolecularWeight: 936.329441

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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(O1)CO)O)O)NC(=O)C)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C

Isomeric SMILES

CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C

InChI

InChI=1S/C51H102NO11P/c1-37(2)18-12-20-39(5)22-14-24-41(7)26-16-28-43(9)30-32-59-35-46(36-61-64(57,58)63-51-48(52-45(11)54)50(56)49(55)47(34-53)62-51)60-33-31-44(10)29-17-27-42(8)25-15-23-40(6)21-13-19-38(3)4/h37-44,46-51,53,55-56H,12-36H2,1-11H3,(H,52,54)(H,57,58)/t39?,40?,41?,42?,43?,44?,46?,47-,48-,49-,50-,51+/m1/s1