dec-9-enyl [(2R,3S,4S,5S,6S)-6-(fluoranylmethyl)-3,4-bis(phenylcarbonyloxy)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl] phosphate; triethylazanium

Systemtic Name: dec-9-enyl [(2R,3S,4S,5S,6S)-6-(fluoranylmethyl)-3,4-bis(phenylcarbonyloxy)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl] phosphate; triethylazanium Openeye Name: dec-9-enyl [(2R,3S,4S,5S,6S)-3,4-dibenzoyloxy-6-(fluoromethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl] phosphate; triethylammonium CAS Name: dec-9-enyl [(2R,3S,4S,5S,6S)-3,4-dibenzoyloxy-6-(fluoromethyl)-5-[[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl] phosphate; triethylammonium IUPAC Name: dec-9-enyl [(2R,3S,4S,5S,6S)-3,4-dibenzoyloxy-6-(fluoromethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl] phosphate; triethylazanium Traditional Name: dec-9-enyl [(2R,3S,4S,5S,6S)-3,4-dibenzoyloxy-6-(fluoromethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl] phosphate; triethylammonium Formula: C50H71FNO19P MolecularWeight: 1040.066204

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OP(=O)([O-])OCCCCCCCCC=C)CF)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC[NH+](CC)CC.CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OP(=O)([O-])OCCCCCCCCC=C)CF)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C44H56FO19P.C6H15N/c1-6-7-8-9-10-11-12-19-24-55-65(52,53)64-44-40(62-42(51)32-22-17-14-18-23-32)38(61-41(50)31-20-15-13-16-21-31)35(33(25-45)59-44)63-43-39(58-30(5)49)37(57-29(4)48)36(56-28(3)47)34(60-43)26-54-27(2)46;1-4-7(5-2)6-3/h6,13-18,20-23,33-40,43-44H,1,7-12,19,24-26H2,2-5H3,(H,52,53);4-6H2,1-3H3/t33-,34-,35-,36+,37+,38+,39-,40+,43+,44-;/m1./s1