[(2R,3R,4S,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-fluoranyl-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl] [[(3S,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46Z,50Z,54Z,58Z,62Z,66Z,70Z,74E,78E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83-henicosamethyltetraoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82-icosaenoxy]-oxidanyl-phosphoryl] hydrogen phosphate

Systemtic Name: [(2R,3R,4S,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-fluoranyl-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl] [[(3S,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46Z,50Z,54Z,58Z,62Z,66Z,70Z,74E,78E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83-henicosamethyltetraoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82-icosaenoxy]-oxidanyl-phosphoryl] hydrogen phosphate Openeye Name: [(2R,3R,4S,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-fluoro-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] [[(3S,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46Z,50Z,54Z,58Z,62Z,66Z,70Z,74E,78E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83-henicosamethyltetraoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82-icosaenoxy]-hydroxy-phosphoryl] hydrogen phosphate CAS Name: [(2R,3R,4S,5S,6R)-5-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-fluoro-4-hydroxy-6-(hydroxymethyl)-2-oxanyl] [[(3S,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46Z,50Z,54Z,58Z,62Z,66Z,70Z,74E,78E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83-heneicosamethyltetraoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82-eicosaenoxy]-hydroxyphosphoryl] hydrogen phosphate IUPAC Name: [(2R,3R,4S,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-fluoro-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] [[(3S,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46Z,50Z,54Z,58Z,62Z,66Z,70Z,74E,78E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83-henicosamethyltetraoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82-icosaenoxy]-hydroxyphosphoryl] hydrogen phosphate Traditional Name: [(2R,3R,4S,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3-fluoro-4-hydroxy-6-methylol-tetrahydropyran-2-yl] [[(3S,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46Z,50Z,54Z,58Z,62Z,66Z,70Z,74E,78E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83-heneicosamethyltetraoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82-eicosaenoxy]-hydroxy-phosphoryl] hydrogen phosphate Formula: C119H196FNO16P2 MolecularWeight: 1977.772565

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)OC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)NC(=O)C)O)F

Isomeric SMILES

C[C@@H](CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O)F

InChI

InChI=1S/C119H196FNO16P2/c1-88(2)44-24-45-89(3)46-25-47-90(4)48-26-49-91(5)50-27-51-92(6)52-28-53-93(7)54-29-55-94(8)56-30-57-95(9)58-31-59-96(10)60-32-61-97(11)62-33-63-98(12)64-34-65-99(13)66-35-67-100(14)68-36-69-101(15)70-37-71-102(16)72-38-73-103(17)74-39-75-104(18)76-40-77-105(19)78-41-79-106(20)80-42-81-107(21)82-43-83-108(22)84-85-132-138(128,129)137-139(130,131)136-118-112(120)115(126)117(111(87-123)134-118)135-119-113(121-109(23)124)116(127)114(125)110(86-122)133-119/h44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,108,110-119,122-123,125-127H,24-43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83-87H2,1-23H3,(H,121,124)(H,128,129)(H,130,131)/b89-46+,90-48+,91-50-,92-52-,93-54-,94-56-,95-58-,96-60-,97-62-,98-64-,99-66-,100-68-,101-70-,102-72-,103-74-,104-76-,105-78-,106-80-,107-82-/t108-,110+,111+,112+,113+,114+,115+,116+,117+,118+,119-/m0/s1