propan-2-yl 2-[[[(2R,3R,4R,5R)-4-but-1-ynyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-(3-methylbut-1-ynyl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]butanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]pentanoate;propan-2-yl 2-[[[(4R,5R,6R,8R)-5-hydroxy-8-(2-methylidene-4-oxopyrimidin-1-yl)-1,7-dioxaspiro[3.4]octan-6-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate

C150H193N17O51P6S6 — CID 160870777

IUPACpropan-2-yl 2-[[[(2R,3R,4R,5R)-4-but-1-ynyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-(3-methylbut-1-ynyl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]butanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]pentanoate;propan-2-yl 2-[[[(4R,5R,6R,8R)-5-hydroxy-8-(2-methylidene-4-oxopyrimidin-1-yl)-1,7-dioxaspiro[3.4]octan-6-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate
SMILESC#C[C@@]1(O)[C@H](O)[C@@H](COP(=S)(NC(CC)C(=O)OC(C)C)Oc2ccccc2)O[C@H]1N1C=CC(=O)NC1=C.C#C[C@@]1(O)[C@H](O)[C@@H](COP(=S)(NC(CCC)C(=O)OC(C)C)Oc2ccccc2)O[C@H]1N1C=CC(=O)NC1=C.C#C[C@@]1(O)[C@H](O)[C@@H](CO[P@@](=S)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)O[C@H]1N1C=CC(=O)CC1=O.C=C1NC(=O)C=CN1[C@@H]1O[C@H](COP(=S)(NC(C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@]12CCO2.CC(C)C#C[C@@]1(O)[C@H](O)[C@@H](COP(=S)(NC(C)C(=O)OC(C)C)Oc2ccccc2)O[C@H]1n1ccc(=O)[nH]c1=O.CCC#C[C@@]1(O)[C@H](O)[C@@H](COP(=S)(NC(C)C(=O)OC(C)C)Oc2ccccc2)O[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C26H34N3O9PS.C26H34N3O8PS.C25H32N3O9PS.C25H32N3O8PS.C24H32N3O8PS.C24H29N2O9PS/c1-16(2)11-13-26(34)22(31)20(37-24(26)29-14-12-21(30)27-25(29)33)15-35-39(40,38-19-9-7-6-8-10-19)28-18(5)23(32)36-17(3)4;1-6-11-20(24(32)35-17(3)4)28-38(39,37-19-12-9-8-10-13-19)34-16-21-23(31)26(33,7-2)25(36-21)29-15-14-22(30)27-18(29)5;1-5-6-13-25(33)21(30)19(36-23(25)28-14-12-20(29)26-24(28)32)15-34-38(39,37-18-10-8-7-9-11-18)27-17(4)22(31)35-16(2)3;1-6-19(23(31)34-16(3)4)27-37(38,36-18-11-9-8-10-12-18)33-15-20-22(30)25(32,7-2)24(35-20)28-14-13-21(29)26-17(28)5;1-15(2)33-22(30)16(3)26-36(37,35-18-8-6-5-7-9-18)32-14-19-21(29)24(11-13-31-24)23(34-19)27-12-10-20(28)25-17(27)4;1-5-24(31)21(29)19(34-23(24)26-12-11-17(27)13-20(26)28)14-32-36(37,35-18-9-7-6-8-10-18)25-16(4)22(30)33-15(2)3/h6-10,12,14,16-18,20,22,24,31,34H,15H2,1-5H3,(H,28,40)(H,27,30,33);2,8-10,12-15,17,20-21,23,25,31,33H,5-6,11,16H2,1,3-4H3,(H,27,30)(H,28,39);7-12,14,16-17,19,21,23,30,33H,5,15H2,1-4H3,(H,27,39)(H,26,29,32);2,8-14,16,19-20,22,24,30,32H,5-6,15H2,1,3-4H3,(H,26,29)(H,27,38);5-10,12,15-16,19,21,23,29H,4,11,13-14H2,1-3H3,(H,25,28)(H,26,37);1,6-12,15-16,19,21,23,29,31H,13-14H2,2-4H3,(H,25,37)/t18?,20-,22-,24-,26-,39?;20?,21-,23-,25-,26-,38?;17?,19-,21-,23-,25-,38?;19?,20-,22-,24-,25-,37?;16?,19-,21-,23-,24-,36?;16-,19+,21+,23+,24+,36-/m111110/s1
InChIKeySLSOAGSPTJOPHJ-GVGFAPNTSA-N
MW3428.51 g/mol
LogP8.90
Rot. Bonds63

About propan-2-yl 2-[[[(2R,3R,4R,5R)-4-but-1-ynyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-(3-methylbut-1-ynyl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]butanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]pentanoate;propan-2-yl 2-[[[(4R,5R,6R,8R)-5-hydroxy-8-(2-methylidene-4-oxopyrimidin-1-yl)-1,7-dioxaspiro[3.4]octan-6-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate

propan-2-yl 2-[[[(2R,3R,4R,5R)-4-but-1-ynyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-(3-methylbut-1-ynyl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]butanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]pentanoate;propan-2-yl 2-[[[(4R,5R,6R,8R)-5-hydroxy-8-(2-methylidene-4-oxopyrimidin-1-yl)-1,7-dioxaspiro[3.4]octan-6-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate (PubChem CID 160870777) has the molecular formula C150H193N17O51P6S6 and a molecular weight of 3428.51 g/mol. Its IUPAC name is propan-2-yl 2-[[[(2R,3R,4R,5R)-4-but-1-ynyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-(3-methylbut-1-ynyl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]butanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]pentanoate;propan-2-yl 2-[[[(4R,5R,6R,8R)-5-hydroxy-8-(2-methylidene-4-oxopyrimidin-1-yl)-1,7-dioxaspiro[3.4]octan-6-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[[[(2R,3R,4R,5R)-4-but-1-ynyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-(3-methylbut-1-ynyl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]butanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]pentanoate;propan-2-yl 2-[[[(4R,5R,6R,8R)-5-hydroxy-8-(2-methylidene-4-oxopyrimidin-1-yl)-1,7-dioxaspiro[3.4]octan-6-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate
PubChem CID160870777
Molecular FormulaC150H193N17O51P6S6
Molecular Weight3428.51 g/mol
Exact Mass3425.98
IUPAC Namepropan-2-yl 2-[[[(2R,3R,4R,5R)-4-but-1-ynyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-(3-methylbut-1-ynyl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]butanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]pentanoate;propan-2-yl 2-[[[(4R,5R,6R,8R)-5-hydroxy-8-(2-methylidene-4-oxopyrimidin-1-yl)-1,7-dioxaspiro[3.4]octan-6-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate
SMILESC#C[C@@]1(O)[C@H](O)[C@@H](COP(=S)(NC(CC)C(=O)OC(C)C)Oc2ccccc2)O[C@H]1N1C=CC(=O)NC1=C.C#C[C@@]1(O)[C@H](O)[C@@H](COP(=S)(NC(CCC)C(=O)OC(C)C)Oc2ccccc2)O[C@H]1N1C=CC(=O)NC1=C.C#C[C@@]1(O)[C@H](O)[C@@H](CO[P@@](=S)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)O[C@H]1N1C=CC(=O)CC1=O.C=C1NC(=O)C=CN1[C@@H]1O[C@H](COP(=S)(NC(C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@]12CCO2.CC(C)C#C[C@@]1(O)[C@H](O)[C@@H](COP(=S)(NC(C)C(=O)OC(C)C)Oc2ccccc2)O[C@H]1n1ccc(=O)[nH]c1=O.CCC#C[C@@]1(O)[C@H](O)[C@@H](COP(=S)(NC(C)C(=O)OC(C)C)Oc2ccccc2)O[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C26H34N3O9PS.C26H34N3O8PS.C25H32N3O9PS.C25H32N3O8PS.C24H32N3O8PS.C24H29N2O9PS/c1-16(2)11-13-26(34)22(31)20(37-24(26)29-14-12-21(30)27-25(29)33)15-35-39(40,38-19-9-7-6-8-10-19)28-18(5)23(32)36-17(3)4;1-6-11-20(24(32)35-17(3)4)28-38(39,37-19-12-9-8-10-13-19)34-16-21-23(31)26(33,7-2)25(36-21)29-15-14-22(30)27-18(29)5;1-5-6-13-25(33)21(30)19(36-23(25)28-14-12-20(29)26-24(28)32)15-34-38(39,37-18-10-8-7-9-11-18)27-17(4)22(31)35-16(2)3;1-6-19(23(31)34-16(3)4)27-37(38,36-18-11-9-8-10-12-18)33-15-20-22(30)25(32,7-2)24(35-20)28-14-13-21(29)26-17(28)5;1-15(2)33-22(30)16(3)26-36(37,35-18-8-6-5-7-9-18)32-14-19-21(29)24(11-13-31-24)23(34-19)27-12-10-20(28)25-17(27)4;1-5-24(31)21(29)19(34-23(24)26-12-11-17(27)13-20(26)28)14-32-36(37,35-18-9-7-6-8-10-18)25-16(4)22(30)33-15(2)3/h6-10,12,14,16-18,20,22,24,31,34H,15H2,1-5H3,(H,28,40)(H,27,30,33);2,8-10,12-15,17,20-21,23,25,31,33H,5-6,11,16H2,1,3-4H3,(H,27,30)(H,28,39);7-12,14,16-17,19,21,23,30,33H,5,15H2,1-4H3,(H,27,39)(H,26,29,32);2,8-14,16,19-20,22,24,30,32H,5-6,15H2,1,3-4H3,(H,26,29)(H,27,38);5-10,12,15-16,19,21,23,29H,4,11,13-14H2,1-3H3,(H,25,28)(H,26,37);1,6-12,15-16,19,21,23,29,31H,13-14H2,2-4H3,(H,25,37)/t18?,20-,22-,24-,26-,39?;20?,21-,23-,25-,26-,38?;17?,19-,21-,23-,25-,38?;19?,20-,22-,24-,25-,37?;16?,19-,21-,23-,24-,36?;16-,19+,21+,23+,24+,36-/m111110/s1
InChIKeySLSOAGSPTJOPHJ-GVGFAPNTSA-N
XLogP8.90
TPSA872.00 Ų
H-Bond Donors22
H-Bond Acceptors62
Rotatable Bonds63
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003428.51
LogP ≤ 58.90
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1062

Analyze propan-2-yl 2-[[[(2R,3R,4R,5R)-4-but-1-ynyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-(3-methylbut-1-ynyl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]butanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]pentanoate;propan-2-yl 2-[[[(4R,5R,6R,8R)-5-hydroxy-8-(2-methylidene-4-oxopyrimidin-1-yl)-1,7-dioxaspiro[3.4]octan-6-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate with MolForge

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Related Compounds

propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate
CID 71616929
propan-2-yl (2S)-2-[[[(3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate
CID 126512660
cyclohexyl (2S)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-but-1-ynyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-(3-methylbut-1-ynyl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]pentanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-ethynyl-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate
CID 160619475
propan-2-yl (2R)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]-3-iodopropanoate
CID 118019559
propan-2-yl 2-[[[(2R,3R,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate
CID 118016805
propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]pentanoate
CID 66804778
propan-2-yl (2S)-2-[[(3-chloro-4-fluorophenoxy)-[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[(4-chlorophenoxy)-[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]amino]propanoate;bis(propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate);propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-ethynyl-4-fluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate
CID 160645123
propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]-3-methylbutanoate
CID 71617164
propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-ethenyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate
CID 157168418
propan-2-yl 2-[[(3-chloro-4-fluorophenoxy)-[[5-(2,4-dioxopyrimidin-1-yl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinothioyl]amino]propanoate
CID 123951581
[(2S)-butan-2-yl] (2S)-2-[[[(2R,3R,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 90059689
benzyl (2S)-2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;ethyl (2S)-2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;heptan-4-yl (2S)-2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 159138965

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[[(2R,3R,4R,5R)-4-but-1-ynyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-(3-methylbut-1-ynyl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]butanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]pentanoate;propan-2-yl 2-[[[(4R,5R,6R,8R)-5-hydroxy-8-(2-methylidene-4-oxopyrimidin-1-yl)-1,7-dioxaspiro[3.4]octan-6-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate?
The IUPAC name of propan-2-yl 2-[[[(2R,3R,4R,5R)-4-but-1-ynyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-(3-methylbut-1-ynyl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]butanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]pentanoate;propan-2-yl 2-[[[(4R,5R,6R,8R)-5-hydroxy-8-(2-methylidene-4-oxopyrimidin-1-yl)-1,7-dioxaspiro[3.4]octan-6-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate (CID 160870777) is propan-2-yl 2-[[[(2R,3R,4R,5R)-4-but-1-ynyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-(3-methylbut-1-ynyl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]butanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]pentanoate;propan-2-yl 2-[[[(4R,5R,6R,8R)-5-hydroxy-8-(2-methylidene-4-oxopyrimidin-1-yl)-1,7-dioxaspiro[3.4]octan-6-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate.
What is the SMILES notation for propan-2-yl 2-[[[(2R,3R,4R,5R)-4-but-1-ynyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-(3-methylbut-1-ynyl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]butanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]pentanoate;propan-2-yl 2-[[[(4R,5R,6R,8R)-5-hydroxy-8-(2-methylidene-4-oxopyrimidin-1-yl)-1,7-dioxaspiro[3.4]octan-6-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate?
The canonical SMILES for propan-2-yl 2-[[[(2R,3R,4R,5R)-4-but-1-ynyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-(3-methylbut-1-ynyl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]butanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]pentanoate;propan-2-yl 2-[[[(4R,5R,6R,8R)-5-hydroxy-8-(2-methylidene-4-oxopyrimidin-1-yl)-1,7-dioxaspiro[3.4]octan-6-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate is C#C[C@@]1(O)[C@H](O)[C@@H](COP(=S)(NC(CC)C(=O)OC(C)C)Oc2ccccc2)O[C@H]1N1C=CC(=O)NC1=C.C#C[C@@]1(O)[C@H](O)[C@@H](COP(=S)(NC(CCC)C(=O)OC(C)C)Oc2ccccc2)O[C@H]1N1C=CC(=O)NC1=C.C#C[C@@]1(O)[C@H](O)[C@@H](CO[P@@](=S)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)O[C@H]1N1C=CC(=O)CC1=O.C=C1NC(=O)C=CN1[C@@H]1O[C@H](COP(=S)(NC(C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@]12CCO2.CC(C)C#C[C@@]1(O)[C@H](O)[C@@H](COP(=S)(NC(C)C(=O)OC(C)C)Oc2ccccc2)O[C@H]1n1ccc(=O)[nH]c1=O.CCC#C[C@@]1(O)[C@H](O)[C@@H](COP(=S)(NC(C)C(=O)OC(C)C)Oc2ccccc2)O[C@H]1n1ccc(=O)[nH]c1=O.
What is the InChIKey of propan-2-yl 2-[[[(2R,3R,4R,5R)-4-but-1-ynyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-(3-methylbut-1-ynyl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]butanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]pentanoate;propan-2-yl 2-[[[(4R,5R,6R,8R)-5-hydroxy-8-(2-methylidene-4-oxopyrimidin-1-yl)-1,7-dioxaspiro[3.4]octan-6-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate?
The InChIKey is SLSOAGSPTJOPHJ-GVGFAPNTSA-N. The full InChI is InChI=1S/C26H34N3O9PS.C26H34N3O8PS.C25H32N3O9PS.C25H32N3O8PS.C24H32N3O8PS.C24H29N2O9PS/c1-16(2)11-13-26(34)22(31)20(37-24(26)29-14-12-21(30)27-25(29)33)15-35-39(40,38-19-9-7-6-8-10-19)28-18(5)23(32)36-17(3)4;1-6-11-20(24(32)35-17(3)4)28-38(39,37-19-12-9-8-10-13-19)34-16-21-23(31)26(33,7-2)25(36-21)29-15-14-22(30)27-18(29)5;1-5-6-13-25(33)21(30)19(36-23(25)28-14-12-20(29)26-24(28)32)15-34-38(39,37-18-10-8-7-9-11-18)27-17(4)22(31)35-16(2)3;1-6-19(23(31)34-16(3)4)27-37(38,36-18-11-9-8-10-12-18)33-15-20-22(30)25(32,7-2)24(35-20)28-14-13-21(29)26-17(28)5;1-15(2)33-22(30)16(3)26-36(37,35-18-8-6-5-7-9-18)32-14-19-21(29)24(11-13-31-24)23(34-19)27-12-10-20(28)25-17(27)4;1-5-24(31)21(29)19(34-23(24)26-12-11-17(27)13-20(26)28)14-32-36(37,35-18-9-7-6-8-10-18)25-16(4)22(30)33-15(2)3/h6-10,12,14,16-18,20,22,24,31,34H,15H2,1-5H3,(H,28,40)(H,27,30,33);2,8-10,12-15,17,20-21,23,25,31,33H,5-6,11,16H2,1,3-4H3,(H,27,30)(H,28,39);7-12,14,16-17,19,21,23,30,33H,5,15H2,1-4H3,(H,27,39)(H,26,29,32);2,8-14,16,19-20,22,24,30,32H,5-6,15H2,1,3-4H3,(H,26,29)(H,27,38);5-10,12,15-16,19,21,23,29H,4,11,13-14H2,1-3H3,(H,25,28)(H,26,37);1,6-12,15-16,19,21,23,29,31H,13-14H2,2-4H3,(H,25,37)/t18?,20-,22-,24-,26-,39?;20?,21-,23-,25-,26-,38?;17?,19-,21-,23-,25-,38?;19?,20-,22-,24-,25-,37?;16?,19-,21-,23-,24-,36?;16-,19+,21+,23+,24+,36-/m111110/s1.
What are the key properties of propan-2-yl 2-[[[(2R,3R,4R,5R)-4-but-1-ynyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-(3-methylbut-1-ynyl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]butanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]pentanoate;propan-2-yl 2-[[[(4R,5R,6R,8R)-5-hydroxy-8-(2-methylidene-4-oxopyrimidin-1-yl)-1,7-dioxaspiro[3.4]octan-6-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate?
propan-2-yl 2-[[[(2R,3R,4R,5R)-4-but-1-ynyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-(3-methylbut-1-ynyl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]butanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]pentanoate;propan-2-yl 2-[[[(4R,5R,6R,8R)-5-hydroxy-8-(2-methylidene-4-oxopyrimidin-1-yl)-1,7-dioxaspiro[3.4]octan-6-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate has a molecular weight of 3428.51 g/mol, XLogP of 8.90, 63 rotatable bonds, 22 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[[(2R,3R,4R,5R)-4-but-1-ynyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-(3-methylbut-1-ynyl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]butanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]pentanoate;propan-2-yl 2-[[[(4R,5R,6R,8R)-5-hydroxy-8-(2-methylidene-4-oxopyrimidin-1-yl)-1,7-dioxaspiro[3.4]octan-6-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate is sourced from PubChem (CID 160870777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).