bis(1-[(6aS,8R,9R,9aS)-6a-fluoro-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,8,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S)-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione

C133H173F7I3N19O58Si4 — CID 161070778

IUPACbis(1-[(6aS,8R,9R,9aS)-6a-fluoro-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,8,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S)-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESC#C[C@]1(O)[C@H](N2C=CC(=O)CC2=O)O[C@](F)(CO)[C@H]1O.C=C1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.CC(C)[Si]1(C(C)C)OC[C@@]2(F)O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1.CC(C)[Si]1(C(C)C)OC[C@@]2(F)O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1.C[C@H]1[C@@H](OC(=O)c2ccccc2)[C@H](n2ccc(=O)[nH]c2=O)O[C@]1(F)CI.C[C@H]1[C@@H](OC(=O)c2ccccc2)[C@H](n2ccc(=O)[nH]c2=O)O[C@]1(F)CO.O=c1ccn([C@@H]2O[C@H](CI)[C@@H](O)[C@H]2O)c(=O)[nH]1.O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1.O=c1ccn([C@@H]2O[C@](F)(CI)[C@@H](O)[C@H]2O)c(=O)[nH]1.O=c1ccn([C@@H]2O[C@](F)(CO)[C@@H](O)[C@H]2O)c(=O)[nH]1
InChIInChI=1S/2C21H37FN2O7Si2.C17H16FIN2O5.C17H17FN2O6.C12H12FNO6.C9H10FIN2O5.C9H11FN2O6.C9H11IN2O5.C9H12N2O6.C9H10N2O5/c2*1-12(2)32(13(3)4)28-11-21(22)18(30-33(31-32,14(5)6)15(7)8)17(26)19(29-21)24-10-9-16(25)23-20(24)27;1-10-13(25-15(23)11-5-3-2-4-6-11)14(26-17(10,18)9-19)21-8-7-12(22)20-16(21)24;1-10-13(25-15(23)11-5-3-2-4-6-11)14(26-17(10,18)9-21)20-8-7-12(22)19-16(20)24;1-2-11(19)9(18)12(13,6-15)20-10(11)14-4-3-7(16)5-8(14)17;10-9(3-11)6(16)5(15)7(18-9)13-2-1-4(14)12-8(13)17;10-9(3-13)6(16)5(15)7(18-9)12-2-1-4(14)11-8(12)17;10-3-4-6(14)7(15)8(17-4)12-2-1-5(13)11-9(12)16;12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16;1-4-6(13)7(14)8(16-4)11-3-2-5(12)10-9(11)15/h2*9-10,12-15,17-19,26H,11H2,1-8H3,(H,23,25,27);2-8,10,13-14H,9H2,1H3,(H,20,22,24);2-8,10,13-14,21H,9H2,1H3,(H,19,22,24);1,3-4,9-10,15,18-19H,5-6H2;1-2,5-7,15-16H,3H2,(H,12,14,17);1-2,5-7,13,15-16H,3H2,(H,11,14,17);1-2,4,6-8,14-15H,3H2,(H,11,13,16);1-2,4,6-8,12,14-15H,3H2,(H,10,13,16);2-3,6-8,13-14H,1H2,(H,10,12,15)/t2*17-,18+,19-,21-;2*10-,13+,14+,17+;9-,10+,11+,12+;2*5-,6+,7-,9-;2*4-,6-,7-,8-;6-,7-,8-/m1100011111/s1
InChIKeyUEPVXDKSMNFXOP-RNJBJOHJSA-N
MW3591.96 g/mol
LogP-2.88
Rot. Bonds29

About bis(1-[(6aS,8R,9R,9aS)-6a-fluoro-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,8,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S)-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione

bis(1-[(6aS,8R,9R,9aS)-6a-fluoro-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,8,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S)-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 161070778) has the molecular formula C133H173F7I3N19O58Si4 and a molecular weight of 3591.96 g/mol. Its IUPAC name is bis(1-[(6aS,8R,9R,9aS)-6a-fluoro-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,8,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S)-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Namebis(1-[(6aS,8R,9R,9aS)-6a-fluoro-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,8,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S)-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID161070778
Molecular FormulaC133H173F7I3N19O58Si4
Molecular Weight3591.96 g/mol
Exact Mass3589.73
IUPAC Namebis(1-[(6aS,8R,9R,9aS)-6a-fluoro-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,8,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S)-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESC#C[C@]1(O)[C@H](N2C=CC(=O)CC2=O)O[C@](F)(CO)[C@H]1O.C=C1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.CC(C)[Si]1(C(C)C)OC[C@@]2(F)O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1.CC(C)[Si]1(C(C)C)OC[C@@]2(F)O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1.C[C@H]1[C@@H](OC(=O)c2ccccc2)[C@H](n2ccc(=O)[nH]c2=O)O[C@]1(F)CI.C[C@H]1[C@@H](OC(=O)c2ccccc2)[C@H](n2ccc(=O)[nH]c2=O)O[C@]1(F)CO.O=c1ccn([C@@H]2O[C@H](CI)[C@@H](O)[C@H]2O)c(=O)[nH]1.O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1.O=c1ccn([C@@H]2O[C@](F)(CI)[C@@H](O)[C@H]2O)c(=O)[nH]1.O=c1ccn([C@@H]2O[C@](F)(CO)[C@@H](O)[C@H]2O)c(=O)[nH]1
InChIInChI=1S/2C21H37FN2O7Si2.C17H16FIN2O5.C17H17FN2O6.C12H12FNO6.C9H10FIN2O5.C9H11FN2O6.C9H11IN2O5.C9H12N2O6.C9H10N2O5/c2*1-12(2)32(13(3)4)28-11-21(22)18(30-33(31-32,14(5)6)15(7)8)17(26)19(29-21)24-10-9-16(25)23-20(24)27;1-10-13(25-15(23)11-5-3-2-4-6-11)14(26-17(10,18)9-19)21-8-7-12(22)20-16(21)24;1-10-13(25-15(23)11-5-3-2-4-6-11)14(26-17(10,18)9-21)20-8-7-12(22)19-16(20)24;1-2-11(19)9(18)12(13,6-15)20-10(11)14-4-3-7(16)5-8(14)17;10-9(3-11)6(16)5(15)7(18-9)13-2-1-4(14)12-8(13)17;10-9(3-13)6(16)5(15)7(18-9)12-2-1-4(14)11-8(12)17;10-3-4-6(14)7(15)8(17-4)12-2-1-5(13)11-9(12)16;12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16;1-4-6(13)7(14)8(16-4)11-3-2-5(12)10-9(11)15/h2*9-10,12-15,17-19,26H,11H2,1-8H3,(H,23,25,27);2-8,10,13-14H,9H2,1H3,(H,20,22,24);2-8,10,13-14,21H,9H2,1H3,(H,19,22,24);1,3-4,9-10,15,18-19H,5-6H2;1-2,5-7,15-16H,3H2,(H,12,14,17);1-2,5-7,13,15-16H,3H2,(H,11,14,17);1-2,4,6-8,14-15H,3H2,(H,11,13,16);1-2,4,6-8,12,14-15H,3H2,(H,10,13,16);2-3,6-8,13-14H,1H2,(H,10,12,15)/t2*17-,18+,19-,21-;2*10-,13+,14+,17+;9-,10+,11+,12+;2*5-,6+,7-,9-;2*4-,6-,7-,8-;6-,7-,8-/m1100011111/s1
InChIKeyUEPVXDKSMNFXOP-RNJBJOHJSA-N
XLogP-2.88
TPSA1095.54 Ų
H-Bond Donors27
H-Bond Acceptors67
Rotatable Bonds29
Heavy Atoms224
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003591.96
LogP ≤ 5-2.88
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1067

Analyze bis(1-[(6aS,8R,9R,9aS)-6a-fluoro-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,8,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S)-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-[(6aS,8R,9R,9aS)-6a-fluoro-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,8,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S)-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of bis(1-[(6aS,8R,9R,9aS)-6a-fluoro-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,8,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S)-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 161070778) is bis(1-[(6aS,8R,9R,9aS)-6a-fluoro-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,8,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S)-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for bis(1-[(6aS,8R,9R,9aS)-6a-fluoro-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,8,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S)-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for bis(1-[(6aS,8R,9R,9aS)-6a-fluoro-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,8,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S)-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione is C#C[C@]1(O)[C@H](N2C=CC(=O)CC2=O)O[C@](F)(CO)[C@H]1O.C=C1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.CC(C)[Si]1(C(C)C)OC[C@@]2(F)O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1.CC(C)[Si]1(C(C)C)OC[C@@]2(F)O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1.C[C@H]1[C@@H](OC(=O)c2ccccc2)[C@H](n2ccc(=O)[nH]c2=O)O[C@]1(F)CI.C[C@H]1[C@@H](OC(=O)c2ccccc2)[C@H](n2ccc(=O)[nH]c2=O)O[C@]1(F)CO.O=c1ccn([C@@H]2O[C@H](CI)[C@@H](O)[C@H]2O)c(=O)[nH]1.O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1.O=c1ccn([C@@H]2O[C@](F)(CI)[C@@H](O)[C@H]2O)c(=O)[nH]1.O=c1ccn([C@@H]2O[C@](F)(CO)[C@@H](O)[C@H]2O)c(=O)[nH]1.
What is the InChIKey of bis(1-[(6aS,8R,9R,9aS)-6a-fluoro-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,8,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S)-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is UEPVXDKSMNFXOP-RNJBJOHJSA-N. The full InChI is InChI=1S/2C21H37FN2O7Si2.C17H16FIN2O5.C17H17FN2O6.C12H12FNO6.C9H10FIN2O5.C9H11FN2O6.C9H11IN2O5.C9H12N2O6.C9H10N2O5/c2*1-12(2)32(13(3)4)28-11-21(22)18(30-33(31-32,14(5)6)15(7)8)17(26)19(29-21)24-10-9-16(25)23-20(24)27;1-10-13(25-15(23)11-5-3-2-4-6-11)14(26-17(10,18)9-19)21-8-7-12(22)20-16(21)24;1-10-13(25-15(23)11-5-3-2-4-6-11)14(26-17(10,18)9-21)20-8-7-12(22)19-16(20)24;1-2-11(19)9(18)12(13,6-15)20-10(11)14-4-3-7(16)5-8(14)17;10-9(3-11)6(16)5(15)7(18-9)13-2-1-4(14)12-8(13)17;10-9(3-13)6(16)5(15)7(18-9)12-2-1-4(14)11-8(12)17;10-3-4-6(14)7(15)8(17-4)12-2-1-5(13)11-9(12)16;12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16;1-4-6(13)7(14)8(16-4)11-3-2-5(12)10-9(11)15/h2*9-10,12-15,17-19,26H,11H2,1-8H3,(H,23,25,27);2-8,10,13-14H,9H2,1H3,(H,20,22,24);2-8,10,13-14,21H,9H2,1H3,(H,19,22,24);1,3-4,9-10,15,18-19H,5-6H2;1-2,5-7,15-16H,3H2,(H,12,14,17);1-2,5-7,13,15-16H,3H2,(H,11,14,17);1-2,4,6-8,14-15H,3H2,(H,11,13,16);1-2,4,6-8,12,14-15H,3H2,(H,10,13,16);2-3,6-8,13-14H,1H2,(H,10,12,15)/t2*17-,18+,19-,21-;2*10-,13+,14+,17+;9-,10+,11+,12+;2*5-,6+,7-,9-;2*4-,6-,7-,8-;6-,7-,8-/m1100011111/s1.
What are the key properties of bis(1-[(6aS,8R,9R,9aS)-6a-fluoro-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,8,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S)-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione?
bis(1-[(6aS,8R,9R,9aS)-6a-fluoro-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,8,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S)-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 3591.96 g/mol, XLogP of -2.88, 29 rotatable bonds, 27 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[(6aS,8R,9R,9aS)-6a-fluoro-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,8,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S)-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 161070778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).