[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl octanoate;[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [(2S)-3-octadecoxy-2-phenylmethoxypropyl] hydrogen phosphate

C113H173Cl2F5N22O34P2 — CID 159405909

IUPAC[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl octanoate;[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [(2S)-3-octadecoxy-2-phenylmethoxypropyl] hydrogen phosphate
SMILESC=C1N=C(N)C=CN1[C@@H]1O[C@](CCl)(COP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)[C@@H](O)[C@H]1F.CCCCCCCC(=O)OC[C@@]1(CN=[N+]=[N-])O[C@@H](n2ccc(C)nc2=O)[C@H](F)[C@@H]1O.CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(O)OC[C@@]1(CCl)O[C@@H](n2ccc(C)nc2=O)[C@H](F)[C@@H]1O)OCc1ccccc1.Cc1ccn([C@@H]2O[C@@](CO)(CN=[N+]=[N-])[C@@H](OC(=O)C(N)C(C)C)[C@H]2F)c(=O)n1.Cc1ccn([C@@H]2O[C@](CN=[N+]=[N-])(COC(=O)C(N)C(C)C)[C@@H](O)[C@H]2F)c(=O)n1
InChIInChI=1S/C39H63ClFN2O9P.C23H36ClFN3O10P.C19H28FN5O5.2C16H23FN6O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-48-28-34(49-27-33-22-19-18-20-23-33)29-50-53(46,47)51-31-39(30-40)36(44)35(41)37(52-39)43-25-24-32(2)42-38(43)45;1-14-27-15(26)8-9-28(14)18-16(25)17(29)23(10-24,38-18)11-35-39(32,36-12-33-19(30)21(2,3)4)37-13-34-20(31)22(5,6)7;1-3-4-5-6-7-8-14(26)29-12-19(11-22-24-21)16(27)15(20)17(30-19)25-10-9-13(2)23-18(25)28;1-8(2)11(18)14(25)27-7-16(6-20-22-19)12(24)10(17)13(28-16)23-5-4-9(3)21-15(23)26;1-8(2)11(18)14(25)27-12-10(17)13(23-5-4-9(3)21-15(23)26)28-16(12,7-24)6-20-22-19/h18-20,22-25,34-37,44H,3-17,21,26-31H2,1-2H3,(H,46,47);8-9,16-18,29H,1,10-13H2,2-7H3,(H2,26,27);9-10,15-17,27H,3-8,11-12H2,1-2H3;2*4-5,8,10-13,24H,6-7,18H2,1-3H3/t34-,35+,36-,37+,39+;16-,17+,18-,23-;15-,16+,17-,19-;2*10-,11?,12+,13-,16-/m01111/s1
InChIKeyLNYGZFHKKJQQPN-OZWMPQPNSA-N
MW2611.59 g/mol
LogP15.13
Rot. Bonds66

About [[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl octanoate;[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [(2S)-3-octadecoxy-2-phenylmethoxypropyl] hydrogen phosphate

[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl octanoate;[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [(2S)-3-octadecoxy-2-phenylmethoxypropyl] hydrogen phosphate (PubChem CID 159405909) has the molecular formula C113H173Cl2F5N22O34P2 and a molecular weight of 2611.59 g/mol. Its IUPAC name is [[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl octanoate;[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [(2S)-3-octadecoxy-2-phenylmethoxypropyl] hydrogen phosphate.

Molecular Properties

Compound Name[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl octanoate;[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [(2S)-3-octadecoxy-2-phenylmethoxypropyl] hydrogen phosphate
PubChem CID159405909
Molecular FormulaC113H173Cl2F5N22O34P2
Molecular Weight2611.59 g/mol
Exact Mass2609.13
IUPAC Name[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl octanoate;[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [(2S)-3-octadecoxy-2-phenylmethoxypropyl] hydrogen phosphate
SMILESC=C1N=C(N)C=CN1[C@@H]1O[C@](CCl)(COP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)[C@@H](O)[C@H]1F.CCCCCCCC(=O)OC[C@@]1(CN=[N+]=[N-])O[C@@H](n2ccc(C)nc2=O)[C@H](F)[C@@H]1O.CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(O)OC[C@@]1(CCl)O[C@@H](n2ccc(C)nc2=O)[C@H](F)[C@@H]1O)OCc1ccccc1.Cc1ccn([C@@H]2O[C@@](CO)(CN=[N+]=[N-])[C@@H](OC(=O)C(N)C(C)C)[C@H]2F)c(=O)n1.Cc1ccn([C@@H]2O[C@](CN=[N+]=[N-])(COC(=O)C(N)C(C)C)[C@@H](O)[C@H]2F)c(=O)n1
InChIInChI=1S/C39H63ClFN2O9P.C23H36ClFN3O10P.C19H28FN5O5.2C16H23FN6O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-48-28-34(49-27-33-22-19-18-20-23-33)29-50-53(46,47)51-31-39(30-40)36(44)35(41)37(52-39)43-25-24-32(2)42-38(43)45;1-14-27-15(26)8-9-28(14)18-16(25)17(29)23(10-24,38-18)11-35-39(32,36-12-33-19(30)21(2,3)4)37-13-34-20(31)22(5,6)7;1-3-4-5-6-7-8-14(26)29-12-19(11-22-24-21)16(27)15(20)17(30-19)25-10-9-13(2)23-18(25)28;1-8(2)11(18)14(25)27-7-16(6-20-22-19)12(24)10(17)13(28-16)23-5-4-9(3)21-15(23)26;1-8(2)11(18)14(25)27-12-10(17)13(23-5-4-9(3)21-15(23)26)28-16(12,7-24)6-20-22-19/h18-20,22-25,34-37,44H,3-17,21,26-31H2,1-2H3,(H,46,47);8-9,16-18,29H,1,10-13H2,2-7H3,(H2,26,27);9-10,15-17,27H,3-8,11-12H2,1-2H3;2*4-5,8,10-13,24H,6-7,18H2,1-3H3/t34-,35+,36-,37+,39+;16-,17+,18-,23-;15-,16+,17-,19-;2*10-,11?,12+,13-,16-/m01111/s1
InChIKeyLNYGZFHKKJQQPN-OZWMPQPNSA-N
XLogP15.13
TPSA777.28 Ų
H-Bond Donors9
H-Bond Acceptors49
Rotatable Bonds66
Heavy Atoms178
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002611.59
LogP ≤ 515.13
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}

Analyze [[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl octanoate;[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [(2S)-3-octadecoxy-2-phenylmethoxypropyl] hydrogen phosphate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl octanoate;[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [(2S)-3-octadecoxy-2-phenylmethoxypropyl] hydrogen phosphate?
The IUPAC name of [[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl octanoate;[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [(2S)-3-octadecoxy-2-phenylmethoxypropyl] hydrogen phosphate (CID 159405909) is [[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl octanoate;[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [(2S)-3-octadecoxy-2-phenylmethoxypropyl] hydrogen phosphate.
What is the SMILES notation for [[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl octanoate;[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [(2S)-3-octadecoxy-2-phenylmethoxypropyl] hydrogen phosphate?
The canonical SMILES for [[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl octanoate;[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [(2S)-3-octadecoxy-2-phenylmethoxypropyl] hydrogen phosphate is C=C1N=C(N)C=CN1[C@@H]1O[C@](CCl)(COP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)[C@@H](O)[C@H]1F.CCCCCCCC(=O)OC[C@@]1(CN=[N+]=[N-])O[C@@H](n2ccc(C)nc2=O)[C@H](F)[C@@H]1O.CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(O)OC[C@@]1(CCl)O[C@@H](n2ccc(C)nc2=O)[C@H](F)[C@@H]1O)OCc1ccccc1.Cc1ccn([C@@H]2O[C@@](CO)(CN=[N+]=[N-])[C@@H](OC(=O)C(N)C(C)C)[C@H]2F)c(=O)n1.Cc1ccn([C@@H]2O[C@](CN=[N+]=[N-])(COC(=O)C(N)C(C)C)[C@@H](O)[C@H]2F)c(=O)n1.
What is the InChIKey of [[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl octanoate;[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [(2S)-3-octadecoxy-2-phenylmethoxypropyl] hydrogen phosphate?
The InChIKey is LNYGZFHKKJQQPN-OZWMPQPNSA-N. The full InChI is InChI=1S/C39H63ClFN2O9P.C23H36ClFN3O10P.C19H28FN5O5.2C16H23FN6O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-48-28-34(49-27-33-22-19-18-20-23-33)29-50-53(46,47)51-31-39(30-40)36(44)35(41)37(52-39)43-25-24-32(2)42-38(43)45;1-14-27-15(26)8-9-28(14)18-16(25)17(29)23(10-24,38-18)11-35-39(32,36-12-33-19(30)21(2,3)4)37-13-34-20(31)22(5,6)7;1-3-4-5-6-7-8-14(26)29-12-19(11-22-24-21)16(27)15(20)17(30-19)25-10-9-13(2)23-18(25)28;1-8(2)11(18)14(25)27-7-16(6-20-22-19)12(24)10(17)13(28-16)23-5-4-9(3)21-15(23)26;1-8(2)11(18)14(25)27-12-10(17)13(23-5-4-9(3)21-15(23)26)28-16(12,7-24)6-20-22-19/h18-20,22-25,34-37,44H,3-17,21,26-31H2,1-2H3,(H,46,47);8-9,16-18,29H,1,10-13H2,2-7H3,(H2,26,27);9-10,15-17,27H,3-8,11-12H2,1-2H3;2*4-5,8,10-13,24H,6-7,18H2,1-3H3/t34-,35+,36-,37+,39+;16-,17+,18-,23-;15-,16+,17-,19-;2*10-,11?,12+,13-,16-/m01111/s1.
What are the key properties of [[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl octanoate;[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [(2S)-3-octadecoxy-2-phenylmethoxypropyl] hydrogen phosphate?
[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl octanoate;[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [(2S)-3-octadecoxy-2-phenylmethoxypropyl] hydrogen phosphate has a molecular weight of 2611.59 g/mol, XLogP of 15.13, 66 rotatable bonds, 9 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl octanoate;[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [(2S)-3-octadecoxy-2-phenylmethoxypropyl] hydrogen phosphate is sourced from PubChem (CID 159405909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).