propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate

C147H210F6N24O48P6 — CID 158909799

IUPACpropan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate
SMILESCC(C)OC(=O)[C@H](C)CP(=O)(Oc1ccccc1)OC(C)(C)[C@H]1O[C@@H](n2ccc(N)nc2=O)C(N)(CF)[C@H]1O.CC(C)OC(=O)[C@H](C)CP(=O)(Oc1ccccc1)O[C@@H](C)[C@H]1O[C@@H](n2ccc(N)nc2=O)C(N)(CF)[C@H]1O.CC(C)OC(=O)[C@H](C)C[P@@](=O)(Oc1ccccc1)OC(C)(C)[C@H]1O[C@@H](n2ccc(N)nc2=O)C(N)(CF)[C@H]1O.CC(C)OC(=O)[C@H](C)C[P@@](=O)(Oc1ccccc1)O[C@@H](C)[C@H]1O[C@@H](n2ccc(N)nc2=O)C(N)(CF)[C@H]1O.CC(C)OC(=O)[C@H](C)C[P@](=O)(Oc1ccccc1)OC(C)(C)[C@H]1O[C@@H](n2ccc(N)nc2=O)C(N)(CF)[C@H]1O.CC(C)OC(=O)[C@H](C)C[P@](=O)(Oc1ccccc1)O[C@@H](C)[C@H]1O[C@@H](n2ccc(N)nc2=O)C(N)(CF)[C@H]1O
InChIInChI=1S/3C25H36FN4O8P.3C24H34FN4O8P/c3*1-15(2)35-21(32)16(3)13-39(34,37-17-9-7-6-8-10-17)38-24(4,5)20-19(31)25(28,14-26)22(36-20)30-12-11-18(27)29-23(30)33;3*1-14(2)34-21(31)15(3)12-38(33,37-17-8-6-5-7-9-17)36-16(4)19-20(30)24(27,13-25)22(35-19)29-11-10-18(26)28-23(29)32/h3*6-12,15-16,19-20,22,31H,13-14,28H2,1-5H3,(H2,27,29,33);3*5-11,14-16,19-20,22,30H,12-13,27H2,1-4H3,(H2,26,28,32)/t16-,19+,20+,22-,25?,39?;16-,19+,20+,22-,25?,39+;16-,19+,20+,22-,25?,39-;15-,16+,19-,20+,22-,24?,38?;15-,16+,19-,20+,22-,24?,38+;15-,16+,19-,20+,22-,24?,38-/m111111/s1
InChIKeyJGMOUJFNRQQXAV-REWUQZSSSA-N
MW3381.25 g/mol
LogP13.26
Rot. Bonds66

About propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate

propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate (PubChem CID 158909799) has the molecular formula C147H210F6N24O48P6 and a molecular weight of 3381.25 g/mol. Its IUPAC name is propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate
PubChem CID158909799
Molecular FormulaC147H210F6N24O48P6
Molecular Weight3381.25 g/mol
Exact Mass3379.31
IUPAC Namepropan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate
SMILESCC(C)OC(=O)[C@H](C)CP(=O)(Oc1ccccc1)OC(C)(C)[C@H]1O[C@@H](n2ccc(N)nc2=O)C(N)(CF)[C@H]1O.CC(C)OC(=O)[C@H](C)CP(=O)(Oc1ccccc1)O[C@@H](C)[C@H]1O[C@@H](n2ccc(N)nc2=O)C(N)(CF)[C@H]1O.CC(C)OC(=O)[C@H](C)C[P@@](=O)(Oc1ccccc1)OC(C)(C)[C@H]1O[C@@H](n2ccc(N)nc2=O)C(N)(CF)[C@H]1O.CC(C)OC(=O)[C@H](C)C[P@@](=O)(Oc1ccccc1)O[C@@H](C)[C@H]1O[C@@H](n2ccc(N)nc2=O)C(N)(CF)[C@H]1O.CC(C)OC(=O)[C@H](C)C[P@](=O)(Oc1ccccc1)OC(C)(C)[C@H]1O[C@@H](n2ccc(N)nc2=O)C(N)(CF)[C@H]1O.CC(C)OC(=O)[C@H](C)C[P@](=O)(Oc1ccccc1)O[C@@H](C)[C@H]1O[C@@H](n2ccc(N)nc2=O)C(N)(CF)[C@H]1O
InChIInChI=1S/3C25H36FN4O8P.3C24H34FN4O8P/c3*1-15(2)35-21(32)16(3)13-39(34,37-17-9-7-6-8-10-17)38-24(4,5)20-19(31)25(28,14-26)22(36-20)30-12-11-18(27)29-23(30)33;3*1-14(2)34-21(31)15(3)12-38(33,37-17-8-6-5-7-9-17)36-16(4)19-20(30)24(27,13-25)22(35-19)29-11-10-18(26)28-23(29)32/h3*6-12,15-16,19-20,22,31H,13-14,28H2,1-5H3,(H2,27,29,33);3*5-11,14-16,19-20,22,30H,12-13,27H2,1-4H3,(H2,26,28,32)/t16-,19+,20+,22-,25?,39?;16-,19+,20+,22-,25?,39+;16-,19+,20+,22-,25?,39-;15-,16+,19-,20+,22-,24?,38?;15-,16+,19-,20+,22-,24?,38+;15-,16+,19-,20+,22-,24?,38-/m111111/s1
InChIKeyJGMOUJFNRQQXAV-REWUQZSSSA-N
XLogP13.26
TPSA1069.32 Ų
H-Bond Donors18
H-Bond Acceptors72
Rotatable Bonds66
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003381.25
LogP ≤ 513.26
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1072

Analyze propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate with MolForge

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Launch Full Analysis

Related Compounds

propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-chloro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-chloro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-chloro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-chloro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-chloro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-chloro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate
CID 158862998
propan-2-yl (2S)-3-[[[(2R,3S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3,4-dihydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3,4-dihydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3,4-dihydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3,4-dihydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3,4-dihydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate
CID 162218813
propan-2-yl (2S)-2-[[[(1S)-1-[(2S,4R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]amino]propanoate
CID 130426058
propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate
CID 159190392
propan-2-yl (2S)-3-[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate
CID 159190393
propan-2-yl (2S)-3-[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate
CID 159574166
propan-2-yl (2S)-3-[[(1R)-1-[(2S,3S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3,4-dihydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate
CID 158051410
propan-2-yl (2S)-2-[[2-[(2S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]amino]propanoate
CID 130426016
propan-2-yl (2S)-3-[[(1R)-1-[(2S,3S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate
CID 161154072
propan-2-yl (2S)-3-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate
CID 161202401
propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate
CID 160778800
propan-2-yl (2S)-3-[2-[(2S,3S,5R)-5-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-4-chloro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate
CID 161095783

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate?
The IUPAC name of propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate (CID 158909799) is propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate.
What is the SMILES notation for propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate?
The canonical SMILES for propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate is CC(C)OC(=O)[C@H](C)CP(=O)(Oc1ccccc1)OC(C)(C)[C@H]1O[C@@H](n2ccc(N)nc2=O)C(N)(CF)[C@H]1O.CC(C)OC(=O)[C@H](C)CP(=O)(Oc1ccccc1)O[C@@H](C)[C@H]1O[C@@H](n2ccc(N)nc2=O)C(N)(CF)[C@H]1O.CC(C)OC(=O)[C@H](C)C[P@@](=O)(Oc1ccccc1)OC(C)(C)[C@H]1O[C@@H](n2ccc(N)nc2=O)C(N)(CF)[C@H]1O.CC(C)OC(=O)[C@H](C)C[P@@](=O)(Oc1ccccc1)O[C@@H](C)[C@H]1O[C@@H](n2ccc(N)nc2=O)C(N)(CF)[C@H]1O.CC(C)OC(=O)[C@H](C)C[P@](=O)(Oc1ccccc1)OC(C)(C)[C@H]1O[C@@H](n2ccc(N)nc2=O)C(N)(CF)[C@H]1O.CC(C)OC(=O)[C@H](C)C[P@](=O)(Oc1ccccc1)O[C@@H](C)[C@H]1O[C@@H](n2ccc(N)nc2=O)C(N)(CF)[C@H]1O.
What is the InChIKey of propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate?
The InChIKey is JGMOUJFNRQQXAV-REWUQZSSSA-N. The full InChI is InChI=1S/3C25H36FN4O8P.3C24H34FN4O8P/c3*1-15(2)35-21(32)16(3)13-39(34,37-17-9-7-6-8-10-17)38-24(4,5)20-19(31)25(28,14-26)22(36-20)30-12-11-18(27)29-23(30)33;3*1-14(2)34-21(31)15(3)12-38(33,37-17-8-6-5-7-9-17)36-16(4)19-20(30)24(27,13-25)22(35-19)29-11-10-18(26)28-23(29)32/h3*6-12,15-16,19-20,22,31H,13-14,28H2,1-5H3,(H2,27,29,33);3*5-11,14-16,19-20,22,30H,12-13,27H2,1-4H3,(H2,26,28,32)/t16-,19+,20+,22-,25?,39?;16-,19+,20+,22-,25?,39+;16-,19+,20+,22-,25?,39-;15-,16+,19-,20+,22-,24?,38?;15-,16+,19-,20+,22-,24?,38+;15-,16+,19-,20+,22-,24?,38-/m111111/s1.
What are the key properties of propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate?
propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate has a molecular weight of 3381.25 g/mol, XLogP of 13.26, 66 rotatable bonds, 18 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[2-[(2S,3R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]propan-2-yloxy-phenoxyphosphoryl]-2-methylpropanoate is sourced from PubChem (CID 158909799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).