propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,4S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-4,4-difluoro-3-(hydroxymethyl)-3-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate

C95H153F11N19O32P5 — CID 158274936

IUPACpropan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,4S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-4,4-difluoro-3-(hydroxymethyl)-3-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate
SMILESC=C1N=C(N)C(F)=CN1[C@@H]1O[C@H](COP(C)(=O)N[C@@H](C)C(=O)OC(C)C)C(C)(CO)C1(F)F.C=C1N=C(N)C(F)=CN1[C@@H]1O[C@H](COP(C)(=O)N[C@@H](C)C(=O)OC(C)C)C(C)(CO)[C@@H]1O.C=C1N=C(N)C(F)=CN1[C@H]1O[C@H](COP(C)(=O)N[C@@H](C)C(=O)OC(C)C)C(C)(CO)C1(F)F.C=C1N=C(N)C=CN1[C@@H]1O[C@H](COP(C)(=O)N[C@@H](C)C(=O)OC(C)C)C(C)(CO)C1(F)F.C=C1NC(=O)C=CN1[C@@H]1O[C@H](COP(C)(=O)N[C@@H](C)C(=O)OC(C)C)C(C)(CO)C1(F)F
InChIInChI=1S/2C19H30F3N4O6P.C19H31F2N4O6P.C19H30F2N3O7P.C19H32FN4O7P/c2*1-10(2)31-16(28)11(3)25-33(6,29)30-8-14-18(5,9-27)19(21,22)17(32-14)26-7-13(20)15(23)24-12(26)4;1-11(2)30-16(27)12(3)24-32(6,28)29-9-14-18(5,10-26)19(20,21)17(31-14)25-8-7-15(22)23-13(25)4;1-11(2)30-16(27)12(3)23-32(6,28)29-9-14-18(5,10-25)19(20,21)17(31-14)24-8-7-15(26)22-13(24)4;1-10(2)30-18(27)11(3)23-32(6,28)29-8-14-19(5,9-25)15(26)17(31-14)24-7-13(20)16(21)22-12(24)4/h2*7,10-11,14,17,27H,4,8-9H2,1-3,5-6H3,(H2,23,24)(H,25,29);7-8,11-12,14,17,26H,4,9-10H2,1-3,5-6H3,(H2,22,23)(H,24,28);7-8,11-12,14,17,25H,4,9-10H2,1-3,5-6H3,(H,22,26)(H,23,28);7,10-11,14-15,17,25-26H,4,8-9H2,1-3,5-6H3,(H2,21,22)(H,23,28)/t11-,14+,17+,18?,33?;11-,14+,17-,18?,33?;2*12-,14+,17+,18?,32?;11-,14+,15+,17+,19?,32?/m00000/s1
InChIKeyGJMMJCSDIRKDRA-MRQFUOGUSA-N
MW2437.22 g/mol
LogP8.24
Rot. Bonds45

About propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,4S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-4,4-difluoro-3-(hydroxymethyl)-3-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate

propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,4S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-4,4-difluoro-3-(hydroxymethyl)-3-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate (PubChem CID 158274936) has the molecular formula C95H153F11N19O32P5 and a molecular weight of 2437.22 g/mol. Its IUPAC name is propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,4S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-4,4-difluoro-3-(hydroxymethyl)-3-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,4S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-4,4-difluoro-3-(hydroxymethyl)-3-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate
PubChem CID158274936
Molecular FormulaC95H153F11N19O32P5
Molecular Weight2437.22 g/mol
Exact Mass2435.94
IUPAC Namepropan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,4S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-4,4-difluoro-3-(hydroxymethyl)-3-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate
SMILESC=C1N=C(N)C(F)=CN1[C@@H]1O[C@H](COP(C)(=O)N[C@@H](C)C(=O)OC(C)C)C(C)(CO)C1(F)F.C=C1N=C(N)C(F)=CN1[C@@H]1O[C@H](COP(C)(=O)N[C@@H](C)C(=O)OC(C)C)C(C)(CO)[C@@H]1O.C=C1N=C(N)C(F)=CN1[C@H]1O[C@H](COP(C)(=O)N[C@@H](C)C(=O)OC(C)C)C(C)(CO)C1(F)F.C=C1N=C(N)C=CN1[C@@H]1O[C@H](COP(C)(=O)N[C@@H](C)C(=O)OC(C)C)C(C)(CO)C1(F)F.C=C1NC(=O)C=CN1[C@@H]1O[C@H](COP(C)(=O)N[C@@H](C)C(=O)OC(C)C)C(C)(CO)C1(F)F
InChIInChI=1S/2C19H30F3N4O6P.C19H31F2N4O6P.C19H30F2N3O7P.C19H32FN4O7P/c2*1-10(2)31-16(28)11(3)25-33(6,29)30-8-14-18(5,9-27)19(21,22)17(32-14)26-7-13(20)15(23)24-12(26)4;1-11(2)30-16(27)12(3)24-32(6,28)29-9-14-18(5,10-26)19(20,21)17(31-14)25-8-7-15(22)23-13(25)4;1-11(2)30-16(27)12(3)23-32(6,28)29-9-14-18(5,10-25)19(20,21)17(31-14)24-8-7-15(26)22-13(24)4;1-10(2)30-18(27)11(3)23-32(6,28)29-8-14-19(5,9-25)15(26)17(31-14)24-7-13(20)16(21)22-12(24)4/h2*7,10-11,14,17,27H,4,8-9H2,1-3,5-6H3,(H2,23,24)(H,25,29);7-8,11-12,14,17,26H,4,9-10H2,1-3,5-6H3,(H2,22,23)(H,24,28);7-8,11-12,14,17,25H,4,9-10H2,1-3,5-6H3,(H,22,26)(H,23,28);7,10-11,14-15,17,25-26H,4,8-9H2,1-3,5-6H3,(H2,21,22)(H,23,28)/t11-,14+,17+,18?,33?;11-,14+,17-,18?,33?;2*12-,14+,17+,18?,32?;11-,14+,15+,17+,19?,32?/m00000/s1
InChIKeyGJMMJCSDIRKDRA-MRQFUOGUSA-N
XLogP8.24
TPSA689.50 Ų
H-Bond Donors16
H-Bond Acceptors45
Rotatable Bonds45
Heavy Atoms162
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002437.22
LogP ≤ 58.24
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,4S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-4,4-difluoro-3-(hydroxymethyl)-3-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,4S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-4,4-difluoro-3-(hydroxymethyl)-3-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate?
The IUPAC name of propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,4S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-4,4-difluoro-3-(hydroxymethyl)-3-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate (CID 158274936) is propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,4S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-4,4-difluoro-3-(hydroxymethyl)-3-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate.
What is the SMILES notation for propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,4S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-4,4-difluoro-3-(hydroxymethyl)-3-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate?
The canonical SMILES for propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,4S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-4,4-difluoro-3-(hydroxymethyl)-3-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate is C=C1N=C(N)C(F)=CN1[C@@H]1O[C@H](COP(C)(=O)N[C@@H](C)C(=O)OC(C)C)C(C)(CO)C1(F)F.C=C1N=C(N)C(F)=CN1[C@@H]1O[C@H](COP(C)(=O)N[C@@H](C)C(=O)OC(C)C)C(C)(CO)[C@@H]1O.C=C1N=C(N)C(F)=CN1[C@H]1O[C@H](COP(C)(=O)N[C@@H](C)C(=O)OC(C)C)C(C)(CO)C1(F)F.C=C1N=C(N)C=CN1[C@@H]1O[C@H](COP(C)(=O)N[C@@H](C)C(=O)OC(C)C)C(C)(CO)C1(F)F.C=C1NC(=O)C=CN1[C@@H]1O[C@H](COP(C)(=O)N[C@@H](C)C(=O)OC(C)C)C(C)(CO)C1(F)F.
What is the InChIKey of propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,4S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-4,4-difluoro-3-(hydroxymethyl)-3-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate?
The InChIKey is GJMMJCSDIRKDRA-MRQFUOGUSA-N. The full InChI is InChI=1S/2C19H30F3N4O6P.C19H31F2N4O6P.C19H30F2N3O7P.C19H32FN4O7P/c2*1-10(2)31-16(28)11(3)25-33(6,29)30-8-14-18(5,9-27)19(21,22)17(32-14)26-7-13(20)15(23)24-12(26)4;1-11(2)30-16(27)12(3)24-32(6,28)29-9-14-18(5,10-26)19(20,21)17(31-14)25-8-7-15(22)23-13(25)4;1-11(2)30-16(27)12(3)23-32(6,28)29-9-14-18(5,10-25)19(20,21)17(31-14)24-8-7-15(26)22-13(24)4;1-10(2)30-18(27)11(3)23-32(6,28)29-8-14-19(5,9-25)15(26)17(31-14)24-7-13(20)16(21)22-12(24)4/h2*7,10-11,14,17,27H,4,8-9H2,1-3,5-6H3,(H2,23,24)(H,25,29);7-8,11-12,14,17,26H,4,9-10H2,1-3,5-6H3,(H2,22,23)(H,24,28);7-8,11-12,14,17,25H,4,9-10H2,1-3,5-6H3,(H,22,26)(H,23,28);7,10-11,14-15,17,25-26H,4,8-9H2,1-3,5-6H3,(H2,21,22)(H,23,28)/t11-,14+,17+,18?,33?;11-,14+,17-,18?,33?;2*12-,14+,17+,18?,32?;11-,14+,15+,17+,19?,32?/m00000/s1.
What are the key properties of propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,4S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-4,4-difluoro-3-(hydroxymethyl)-3-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate?
propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,4S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-4,4-difluoro-3-(hydroxymethyl)-3-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate has a molecular weight of 2437.22 g/mol, XLogP of 8.24, 45 rotatable bonds, 16 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,4S,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,5R)-4,4-difluoro-3-(hydroxymethyl)-3-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate is sourced from PubChem (CID 158274936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).