1-[(3aR,4R,6R,6aR)-3a-ethynyl-6-(hydroxymethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-3a-ethynyl-6-(iodomethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-3a-ethynylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;[(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-ethynyl-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S)-3-ethynyl-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione

C190H183F5I4N14O63 — CID 161257686

IUPAC1-[(3aR,4R,6R,6aR)-3a-ethynyl-6-(hydroxymethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-3a-ethynyl-6-(iodomethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-3a-ethynylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;[(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-ethynyl-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S)-3-ethynyl-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione
SMILESC#C[C@@]1(O)[C@H](O)C(=C)O[C@H]1N1C=CC(=O)CC1=O.C#C[C@@]1(O)[C@H](O)[C@@H](CI)O[C@H]1N1C=CC(=O)CC1=O.C#C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1N1C=CC(=O)CC1=O.C#C[C@@]12OC3(CCCC3)O[C@@H]1[C@@H](CC)O[C@H]2N1C=CC(=O)CC1=O.C#C[C@@]12OC3(CCCC3)O[C@@H]1[C@@H](CI)O[C@H]2N1C=CC(=O)CC1=O.C#C[C@@]12OC3(CCCC3)O[C@@H]1[C@@H](CO)O[C@H]2N1C=CC(=O)CC1=O.C#C[C@]1(O)[C@H](N2C=CC(=O)CC2=O)O[C@](F)(CI)[C@H]1O.C#C[C@]1(OC(=O)c2ccccc2)[C@H](n2ccc(=O)n(C(=O)c3ccccc3)c2=O)O[C@](F)(CI)[C@H]1C.C#C[C@]1(OC(=O)c2ccccc2)[C@H](n2ccc(=O)n(C(=O)c3ccccc3)c2=O)O[C@](F)(CO)[C@H]1C.C=C[C@]1(O)[C@H](N2C=CC(=O)CC2=O)O[C@](F)(CO)[C@H]1O.C=C[C@]1(OC(=O)c2ccccc2)[C@H](n2ccc(=O)n(C(=O)c3ccccc3)c2=O)O[C@](F)(CO)[C@H]1C
InChIInChI=1S/C26H20FIN2O6.C26H23FN2O7.C26H21FN2O7.C18H21NO5.C17H18INO5.C17H19NO6.C12H11FINO5.C12H14FNO6.C12H12INO5.C12H13NO6.C12H11NO5/c1-3-25(35-22(33)19-12-8-5-9-13-19)17(2)26(27,16-28)36-23(25)29-15-14-20(31)30(24(29)34)21(32)18-10-6-4-7-11-18;2*1-3-25(35-22(33)19-12-8-5-9-13-19)17(2)26(27,16-30)36-23(25)28-15-14-20(31)29(24(28)34)21(32)18-10-6-4-7-11-18;1-3-13-15-18(4-2,24-17(23-15)8-5-6-9-17)16(22-13)19-10-7-12(20)11-14(19)21;1-2-17-14(23-16(24-17)6-3-4-7-16)12(10-18)22-15(17)19-8-5-11(20)9-13(19)21;1-2-17-14(23-16(24-17)6-3-4-7-16)12(10-19)22-15(17)18-8-5-11(20)9-13(18)21;1-2-11(19)9(18)12(13,6-14)20-10(11)15-4-3-7(16)5-8(15)17;1-2-11(19)9(18)12(13,6-15)20-10(11)14-4-3-7(16)5-8(14)17;1-2-12(18)10(17)8(6-13)19-11(12)14-4-3-7(15)5-9(14)16;1-2-12(18)10(17)8(6-14)19-11(12)13-4-3-7(15)5-9(13)16;1-3-12(17)10(16)7(2)18-11(12)13-5-4-8(14)6-9(13)15/h1,4-15,17,23H,16H2,2H3;3-15,17,23,30H,1,16H2,2H3;1,4-15,17,23,30H,16H2,2H3;2,7,10,13,15-16H,3,5-6,8-9,11H2,1H3;1,5,8,12,14-15H,3-4,6-7,9-10H2;1,5,8,12,14-15,19H,3-4,6-7,9-10H2;1,3-4,9-10,18-19H,5-6H2;2-4,9-10,15,18-19H,1,5-6H2;1,3-4,8,10-11,17-18H,5-6H2;1,3-4,8,10-11,14,17-18H,5-6H2;1,4-5,10-11,16-17H,2,6H2/t3*17-,23+,25+,26+;13-,15-,16-,18-;2*12-,14-,15-,17-;2*9-,10+,11+,12+;2*8-,10-,11-,12-;10-,11-,12-/m00011100111/s1
InChIKeyVCDIZLQPZJVWPT-ALKMJGJDSA-N
MW4273.19 g/mol
LogP4.24
Rot. Bonds32

About 1-[(3aR,4R,6R,6aR)-3a-ethynyl-6-(hydroxymethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-3a-ethynyl-6-(iodomethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-3a-ethynylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;[(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-ethynyl-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S)-3-ethynyl-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione

1-[(3aR,4R,6R,6aR)-3a-ethynyl-6-(hydroxymethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-3a-ethynyl-6-(iodomethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-3a-ethynylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;[(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-ethynyl-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S)-3-ethynyl-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione (PubChem CID 161257686) has the molecular formula C190H183F5I4N14O63 and a molecular weight of 4273.19 g/mol. Its IUPAC name is 1-[(3aR,4R,6R,6aR)-3a-ethynyl-6-(hydroxymethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-3a-ethynyl-6-(iodomethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-3a-ethynylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;[(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-ethynyl-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S)-3-ethynyl-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione.

Molecular Properties

Compound Name1-[(3aR,4R,6R,6aR)-3a-ethynyl-6-(hydroxymethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-3a-ethynyl-6-(iodomethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-3a-ethynylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;[(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-ethynyl-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S)-3-ethynyl-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione
PubChem CID161257686
Molecular FormulaC190H183F5I4N14O63
Molecular Weight4273.19 g/mol
Exact Mass4270.76
IUPAC Name1-[(3aR,4R,6R,6aR)-3a-ethynyl-6-(hydroxymethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-3a-ethynyl-6-(iodomethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-3a-ethynylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;[(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-ethynyl-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S)-3-ethynyl-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione
SMILESC#C[C@@]1(O)[C@H](O)C(=C)O[C@H]1N1C=CC(=O)CC1=O.C#C[C@@]1(O)[C@H](O)[C@@H](CI)O[C@H]1N1C=CC(=O)CC1=O.C#C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1N1C=CC(=O)CC1=O.C#C[C@@]12OC3(CCCC3)O[C@@H]1[C@@H](CC)O[C@H]2N1C=CC(=O)CC1=O.C#C[C@@]12OC3(CCCC3)O[C@@H]1[C@@H](CI)O[C@H]2N1C=CC(=O)CC1=O.C#C[C@@]12OC3(CCCC3)O[C@@H]1[C@@H](CO)O[C@H]2N1C=CC(=O)CC1=O.C#C[C@]1(O)[C@H](N2C=CC(=O)CC2=O)O[C@](F)(CI)[C@H]1O.C#C[C@]1(OC(=O)c2ccccc2)[C@H](n2ccc(=O)n(C(=O)c3ccccc3)c2=O)O[C@](F)(CI)[C@H]1C.C#C[C@]1(OC(=O)c2ccccc2)[C@H](n2ccc(=O)n(C(=O)c3ccccc3)c2=O)O[C@](F)(CO)[C@H]1C.C=C[C@]1(O)[C@H](N2C=CC(=O)CC2=O)O[C@](F)(CO)[C@H]1O.C=C[C@]1(OC(=O)c2ccccc2)[C@H](n2ccc(=O)n(C(=O)c3ccccc3)c2=O)O[C@](F)(CO)[C@H]1C
InChIInChI=1S/C26H20FIN2O6.C26H23FN2O7.C26H21FN2O7.C18H21NO5.C17H18INO5.C17H19NO6.C12H11FINO5.C12H14FNO6.C12H12INO5.C12H13NO6.C12H11NO5/c1-3-25(35-22(33)19-12-8-5-9-13-19)17(2)26(27,16-28)36-23(25)29-15-14-20(31)30(24(29)34)21(32)18-10-6-4-7-11-18;2*1-3-25(35-22(33)19-12-8-5-9-13-19)17(2)26(27,16-30)36-23(25)28-15-14-20(31)29(24(28)34)21(32)18-10-6-4-7-11-18;1-3-13-15-18(4-2,24-17(23-15)8-5-6-9-17)16(22-13)19-10-7-12(20)11-14(19)21;1-2-17-14(23-16(24-17)6-3-4-7-16)12(10-18)22-15(17)19-8-5-11(20)9-13(19)21;1-2-17-14(23-16(24-17)6-3-4-7-16)12(10-19)22-15(17)18-8-5-11(20)9-13(18)21;1-2-11(19)9(18)12(13,6-14)20-10(11)15-4-3-7(16)5-8(15)17;1-2-11(19)9(18)12(13,6-15)20-10(11)14-4-3-7(16)5-8(14)17;1-2-12(18)10(17)8(6-13)19-11(12)14-4-3-7(15)5-9(14)16;1-2-12(18)10(17)8(6-14)19-11(12)13-4-3-7(15)5-9(13)16;1-3-12(17)10(16)7(2)18-11(12)13-5-4-8(14)6-9(13)15/h1,4-15,17,23H,16H2,2H3;3-15,17,23,30H,1,16H2,2H3;1,4-15,17,23,30H,16H2,2H3;2,7,10,13,15-16H,3,5-6,8-9,11H2,1H3;1,5,8,12,14-15H,3-4,6-7,9-10H2;1,5,8,12,14-15,19H,3-4,6-7,9-10H2;1,3-4,9-10,18-19H,5-6H2;2-4,9-10,15,18-19H,1,5-6H2;1,3-4,8,10-11,17-18H,5-6H2;1,3-4,8,10-11,14,17-18H,5-6H2;1,4-5,10-11,16-17H,2,6H2/t3*17-,23+,25+,26+;13-,15-,16-,18-;2*12-,14-,15-,17-;2*9-,10+,11+,12+;2*8-,10-,11-,12-;10-,11-,12-/m00011100111/s1
InChIKeyVCDIZLQPZJVWPT-ALKMJGJDSA-N
XLogP4.24
TPSA1021.51 Ų
H-Bond Donors15
H-Bond Acceptors69
Rotatable Bonds32
Heavy Atoms276
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004273.19
LogP ≤ 54.24
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1069

Analyze 1-[(3aR,4R,6R,6aR)-3a-ethynyl-6-(hydroxymethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-3a-ethynyl-6-(iodomethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-3a-ethynylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;[(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-ethynyl-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S)-3-ethynyl-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,4R,6R,6aR)-3a-ethynyl-6-(hydroxymethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-3a-ethynyl-6-(iodomethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-3a-ethynylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;[(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-ethynyl-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S)-3-ethynyl-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione?
The IUPAC name of 1-[(3aR,4R,6R,6aR)-3a-ethynyl-6-(hydroxymethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-3a-ethynyl-6-(iodomethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-3a-ethynylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;[(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-ethynyl-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S)-3-ethynyl-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione (CID 161257686) is 1-[(3aR,4R,6R,6aR)-3a-ethynyl-6-(hydroxymethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-3a-ethynyl-6-(iodomethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-3a-ethynylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;[(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-ethynyl-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S)-3-ethynyl-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione.
What is the SMILES notation for 1-[(3aR,4R,6R,6aR)-3a-ethynyl-6-(hydroxymethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-3a-ethynyl-6-(iodomethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-3a-ethynylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;[(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-ethynyl-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S)-3-ethynyl-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione?
The canonical SMILES for 1-[(3aR,4R,6R,6aR)-3a-ethynyl-6-(hydroxymethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-3a-ethynyl-6-(iodomethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-3a-ethynylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;[(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-ethynyl-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S)-3-ethynyl-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione is C#C[C@@]1(O)[C@H](O)C(=C)O[C@H]1N1C=CC(=O)CC1=O.C#C[C@@]1(O)[C@H](O)[C@@H](CI)O[C@H]1N1C=CC(=O)CC1=O.C#C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1N1C=CC(=O)CC1=O.C#C[C@@]12OC3(CCCC3)O[C@@H]1[C@@H](CC)O[C@H]2N1C=CC(=O)CC1=O.C#C[C@@]12OC3(CCCC3)O[C@@H]1[C@@H](CI)O[C@H]2N1C=CC(=O)CC1=O.C#C[C@@]12OC3(CCCC3)O[C@@H]1[C@@H](CO)O[C@H]2N1C=CC(=O)CC1=O.C#C[C@]1(O)[C@H](N2C=CC(=O)CC2=O)O[C@](F)(CI)[C@H]1O.C#C[C@]1(OC(=O)c2ccccc2)[C@H](n2ccc(=O)n(C(=O)c3ccccc3)c2=O)O[C@](F)(CI)[C@H]1C.C#C[C@]1(OC(=O)c2ccccc2)[C@H](n2ccc(=O)n(C(=O)c3ccccc3)c2=O)O[C@](F)(CO)[C@H]1C.C=C[C@]1(O)[C@H](N2C=CC(=O)CC2=O)O[C@](F)(CO)[C@H]1O.C=C[C@]1(OC(=O)c2ccccc2)[C@H](n2ccc(=O)n(C(=O)c3ccccc3)c2=O)O[C@](F)(CO)[C@H]1C.
What is the InChIKey of 1-[(3aR,4R,6R,6aR)-3a-ethynyl-6-(hydroxymethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-3a-ethynyl-6-(iodomethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-3a-ethynylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;[(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-ethynyl-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S)-3-ethynyl-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione?
The InChIKey is VCDIZLQPZJVWPT-ALKMJGJDSA-N. The full InChI is InChI=1S/C26H20FIN2O6.C26H23FN2O7.C26H21FN2O7.C18H21NO5.C17H18INO5.C17H19NO6.C12H11FINO5.C12H14FNO6.C12H12INO5.C12H13NO6.C12H11NO5/c1-3-25(35-22(33)19-12-8-5-9-13-19)17(2)26(27,16-28)36-23(25)29-15-14-20(31)30(24(29)34)21(32)18-10-6-4-7-11-18;2*1-3-25(35-22(33)19-12-8-5-9-13-19)17(2)26(27,16-30)36-23(25)28-15-14-20(31)29(24(28)34)21(32)18-10-6-4-7-11-18;1-3-13-15-18(4-2,24-17(23-15)8-5-6-9-17)16(22-13)19-10-7-12(20)11-14(19)21;1-2-17-14(23-16(24-17)6-3-4-7-16)12(10-18)22-15(17)19-8-5-11(20)9-13(19)21;1-2-17-14(23-16(24-17)6-3-4-7-16)12(10-19)22-15(17)18-8-5-11(20)9-13(18)21;1-2-11(19)9(18)12(13,6-14)20-10(11)15-4-3-7(16)5-8(15)17;1-2-11(19)9(18)12(13,6-15)20-10(11)14-4-3-7(16)5-8(14)17;1-2-12(18)10(17)8(6-13)19-11(12)14-4-3-7(15)5-9(14)16;1-2-12(18)10(17)8(6-14)19-11(12)13-4-3-7(15)5-9(13)16;1-3-12(17)10(16)7(2)18-11(12)13-5-4-8(14)6-9(13)15/h1,4-15,17,23H,16H2,2H3;3-15,17,23,30H,1,16H2,2H3;1,4-15,17,23,30H,16H2,2H3;2,7,10,13,15-16H,3,5-6,8-9,11H2,1H3;1,5,8,12,14-15H,3-4,6-7,9-10H2;1,5,8,12,14-15,19H,3-4,6-7,9-10H2;1,3-4,9-10,18-19H,5-6H2;2-4,9-10,15,18-19H,1,5-6H2;1,3-4,8,10-11,17-18H,5-6H2;1,3-4,8,10-11,14,17-18H,5-6H2;1,4-5,10-11,16-17H,2,6H2/t3*17-,23+,25+,26+;13-,15-,16-,18-;2*12-,14-,15-,17-;2*9-,10+,11+,12+;2*8-,10-,11-,12-;10-,11-,12-/m00011100111/s1.
What are the key properties of 1-[(3aR,4R,6R,6aR)-3a-ethynyl-6-(hydroxymethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-3a-ethynyl-6-(iodomethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-3a-ethynylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;[(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-ethynyl-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S)-3-ethynyl-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione?
1-[(3aR,4R,6R,6aR)-3a-ethynyl-6-(hydroxymethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-3a-ethynyl-6-(iodomethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-3a-ethynylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;[(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-ethynyl-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S)-3-ethynyl-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione has a molecular weight of 4273.19 g/mol, XLogP of 4.24, 32 rotatable bonds, 15 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,4R,6R,6aR)-3a-ethynyl-6-(hydroxymethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-3a-ethynyl-6-(iodomethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-3a-ethynylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;[(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-ethynyl-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S)-3-ethynyl-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione is sourced from PubChem (CID 161257686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).