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-(4-fluorophenoxy)phosphinothioyl]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-phenoxyphosphinothioyl]amino]-3-methylbutanoate;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-phenoxyphosphinothioyl]amino]-4-methylpentanoate;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-phenoxyphosphinothioyl]amino]-4-methylsulfanylbutanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(6-methyl-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate

C129H164FN16O40P5S6 — CID 158474739

About 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-(4-fluorophenoxy)phosphinothioyl]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-phenoxyphosphinothioyl]amino]-3-methylbutanoate;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-phenoxyphosphinothioyl]amino]-4-methylpentanoate;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-phenoxyphosphinothioyl]amino]-4-methylsulfanylbutanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(6-methyl-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-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-(4-fluorophenoxy)phosphinothioyl]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-phenoxyphosphinothioyl]amino]-3-methylbutanoate;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-phenoxyphosphinothioyl]amino]-4-methylpentanoate;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-phenoxyphosphinothioyl]amino]-4-methylsulfanylbutanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(6-methyl-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate (PubChem CID 158474739) has the molecular formula C129H164FN16O40P5S6 and a molecular weight of 2945.07 g/mol. Its IUPAC name is 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-(4-fluorophenoxy)phosphinothioyl]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-phenoxyphosphinothioyl]amino]-3-methylbutanoate;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-phenoxyphosphinothioyl]amino]-4-methylpentanoate;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-phenoxyphosphinothioyl]amino]-4-methylsulfanylbutanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(6-methyl-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate.

Molecular Properties

• Compound Name: 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-(4-fluorophenoxy)phosphinothioyl]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-phenoxyphosphinothioyl]amino]-3-methylbutanoate;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-phenoxyphosphinothioyl]amino]-4-methylpentanoate;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-phenoxyphosphinothioyl]amino]-4-methylsulfanylbutanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(6-methyl-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate
• PubChem CID: 158474739
• Molecular Formula: C129H164FN16O40P5S6
• Molecular Weight: 2945.07 g/mol
• Exact Mass: 2942.83
• IUPAC Name: 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-(4-fluorophenoxy)phosphinothioyl]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-phenoxyphosphinothioyl]amino]-3-methylbutanoate;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-phenoxyphosphinothioyl]amino]-4-methylpentanoate;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-phenoxyphosphinothioyl]amino]-4-methylsulfanylbutanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(6-methyl-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate
• SMILES: C#C[C@@]1(O)[C@H](O)[C@@H](COP(=S)(N[C@@H](C)C(=O)OC(C)C)Oc2ccc(F)cc2)O[C@H]1N1C=CC(=O)NC1=C.C#C[C@@]1(O)[C@H](O)[C@@H](COP(=S)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)O[C@H]1n1cnc2c(=O)[nH]c(C)cc21.C#C[C@@]1(O)[C@H](O)[C@@H](COP(=S)(N[C@@H](CC(C)C)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)(N[C@@H](CCSC)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)(N[C@H](C(=O)OC(C)C)C(C)C)Oc2ccccc2)O[C@H]1N1C=CC(=O)NC1=C
• InChI: InChI=1S/C27H36N3O8PS.C26H31N4O8PS.C26H34N3O8PS2.C26H34N3O8PS.C24H29FN3O8PS/c1-7-27(34)24(32)22(37-26(27)30-14-13-23(31)28-19(30)6)16-35-39(40,38-20-11-9-8-10-12-20)29-21(15-17(2)3)25(33)36-18(4)5;1-6-26(34)22(31)20(37-25(26)30-14-27-21-19(30)12-16(4)28-23(21)32)13-35-39(40,38-18-10-8-7-9-11-18)29-17(5)24(33)36-15(2)3;1-6-26(33)23(31)21(36-25(26)29-14-12-22(30)27-18(29)4)16-34-38(39,37-19-10-8-7-9-11-19)28-20(13-15-40-5)24(32)35-17(2)3;1-7-26(33)23(31)20(36-25(26)29-14-13-21(30)27-18(29)6)15-34-38(39,37-19-11-9-8-10-12-19)28-22(16(2)3)24(32)35-17(4)5;1-6-24(32)21(30)19(35-23(24)28-12-11-20(29)26-16(28)5)13-33-37(38,27-15(4)22(31)34-14(2)3)36-18-9-7-17(25)8-10-18/h1,8-14,17-18,21-22,24,26,32,34H,6,15-16H2,2-5H3,(H,28,31)(H,29,40);1,7-12,14-15,17,20,22,25,31,34H,13H2,2-5H3,(H,28,32)(H,29,40);1,7-12,14,17,20-21,23,25,31,33H,4,13,15-16H2,2-3,5H3,(H,27,30)(H,28,39);1,8-14,16-17,20,22-23,25,31,33H,6,15H2,2-5H3,(H,27,30)(H,28,39);1,7-12,14-15,19,21,23,30,32H,5,13H2,2-4H3,(H,26,29)(H,27,38)/t21-,22+,24+,26+,27+,39?;17-,20+,22+,25+,26+,39?;20-,21+,23+,25+,26+,38?;20-,22+,23-,25-,26-,38?;15-,19+,21+,23+,24+,37?/m00010/s1
• InChIKey: HGUIAVZHMUBEES-BOOTWZBJSA-N
• XLogP: 8.85
• TPSA: 712.44 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 52
• Rotatable Bonds: 56
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2945.07
LogP ≤ 5	8.85
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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-(4-fluorophenoxy)phosphinothioyl]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-phenoxyphosphinothioyl]amino]-3-methylbutanoate;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-phenoxyphosphinothioyl]amino]-4-methylpentanoate;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-phenoxyphosphinothioyl]amino]-4-methylsulfanylbutanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(6-methyl-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate?

The IUPAC name of 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-(4-fluorophenoxy)phosphinothioyl]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-phenoxyphosphinothioyl]amino]-3-methylbutanoate;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-phenoxyphosphinothioyl]amino]-4-methylpentanoate;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-phenoxyphosphinothioyl]amino]-4-methylsulfanylbutanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(6-methyl-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate (CID 158474739) is 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-(4-fluorophenoxy)phosphinothioyl]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-phenoxyphosphinothioyl]amino]-3-methylbutanoate;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-phenoxyphosphinothioyl]amino]-4-methylpentanoate;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-phenoxyphosphinothioyl]amino]-4-methylsulfanylbutanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(6-methyl-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate.

What is the SMILES notation for 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-(4-fluorophenoxy)phosphinothioyl]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-phenoxyphosphinothioyl]amino]-3-methylbutanoate;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-phenoxyphosphinothioyl]amino]-4-methylpentanoate;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-phenoxyphosphinothioyl]amino]-4-methylsulfanylbutanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(6-methyl-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate?

The canonical SMILES for 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-(4-fluorophenoxy)phosphinothioyl]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-phenoxyphosphinothioyl]amino]-3-methylbutanoate;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-phenoxyphosphinothioyl]amino]-4-methylpentanoate;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-phenoxyphosphinothioyl]amino]-4-methylsulfanylbutanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(6-methyl-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate is C#C[C@@]1(O)[C@H](O)[C@@H](COP(=S)(N[C@@H](C)C(=O)OC(C)C)Oc2ccc(F)cc2)O[C@H]1N1C=CC(=O)NC1=C.C#C[C@@]1(O)[C@H](O)[C@@H](COP(=S)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)O[C@H]1n1cnc2c(=O)[nH]c(C)cc21.C#C[C@@]1(O)[C@H](O)[C@@H](COP(=S)(N[C@@H](CC(C)C)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)(N[C@@H](CCSC)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)(N[C@H](C(=O)OC(C)C)C(C)C)Oc2ccccc2)O[C@H]1N1C=CC(=O)NC1=C.

What is the InChIKey of 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-(4-fluorophenoxy)phosphinothioyl]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-phenoxyphosphinothioyl]amino]-3-methylbutanoate;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-phenoxyphosphinothioyl]amino]-4-methylpentanoate;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-phenoxyphosphinothioyl]amino]-4-methylsulfanylbutanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(6-methyl-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate?

The InChIKey is HGUIAVZHMUBEES-BOOTWZBJSA-N. The full InChI is InChI=1S/C27H36N3O8PS.C26H31N4O8PS.C26H34N3O8PS2.C26H34N3O8PS.C24H29FN3O8PS/c1-7-27(34)24(32)22(37-26(27)30-14-13-23(31)28-19(30)6)16-35-39(40,38-20-11-9-8-10-12-20)29-21(15-17(2)3)25(33)36-18(4)5;1-6-26(34)22(31)20(37-25(26)30-14-27-21-19(30)12-16(4)28-23(21)32)13-35-39(40,38-18-10-8-7-9-11-18)29-17(5)24(33)36-15(2)3;1-6-26(33)23(31)21(36-25(26)29-14-12-22(30)27-18(29)4)16-34-38(39,37-19-10-8-7-9-11-19)28-20(13-15-40-5)24(32)35-17(2)3;1-7-26(33)23(31)20(36-25(26)29-14-13-21(30)27-18(29)6)15-34-38(39,37-19-11-9-8-10-12-19)28-22(16(2)3)24(32)35-17(4)5;1-6-24(32)21(30)19(35-23(24)28-12-11-20(29)26-16(28)5)13-33-37(38,27-15(4)22(31)34-14(2)3)36-18-9-7-17(25)8-10-18/h1,8-14,17-18,21-22,24,26,32,34H,6,15-16H2,2-5H3,(H,28,31)(H,29,40);1,7-12,14-15,17,20,22,25,31,34H,13H2,2-5H3,(H,28,32)(H,29,40);1,7-12,14,17,20-21,23,25,31,33H,4,13,15-16H2,2-3,5H3,(H,27,30)(H,28,39);1,8-14,16-17,20,22-23,25,31,33H,6,15H2,2-5H3,(H,27,30)(H,28,39);1,7-12,14-15,19,21,23,30,32H,5,13H2,2-4H3,(H,26,29)(H,27,38)/t21-,22+,24+,26+,27+,39?;17-,20+,22+,25+,26+,39?;20-,21+,23+,25+,26+,38?;20-,22+,23-,25-,26-,38?;15-,19+,21+,23+,24+,37?/m00010/s1.

What are the key properties of 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-(4-fluorophenoxy)phosphinothioyl]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-phenoxyphosphinothioyl]amino]-3-methylbutanoate;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-phenoxyphosphinothioyl]amino]-4-methylpentanoate;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-phenoxyphosphinothioyl]amino]-4-methylsulfanylbutanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(6-methyl-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-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-(4-fluorophenoxy)phosphinothioyl]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-phenoxyphosphinothioyl]amino]-3-methylbutanoate;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-phenoxyphosphinothioyl]amino]-4-methylpentanoate;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-phenoxyphosphinothioyl]amino]-4-methylsulfanylbutanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(6-methyl-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate has a molecular weight of 2945.07 g/mol, XLogP of 8.85, 56 rotatable bonds, 20 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(4-fluorophenoxy)phosphinothioyl]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-phenoxyphosphinothioyl]amino]-3-methylbutanoate;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-phenoxyphosphinothioyl]amino]-4-methylpentanoate;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-phenoxyphosphinothioyl]amino]-4-methylsulfanylbutanoate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(6-methyl-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate is sourced from PubChem (CID 158474739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).