4-amino-1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxolan-2-yl]-4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]pyrimidin-2-one;[(2R,3S,4S,5R)-2-azido-5-[4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]-2-oxopyrimidin-1-yl]-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-3-yl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

C137H148N24O24 — CID 159454027

About 4-amino-1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxolan-2-yl]-4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]pyrimidin-2-one;[(2R,3S,4S,5R)-2-azido-5-[4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]-2-oxopyrimidin-1-yl]-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-3-yl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

4-amino-1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxolan-2-yl]-4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]pyrimidin-2-one;[(2R,3S,4S,5R)-2-azido-5-[4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]-2-oxopyrimidin-1-yl]-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-3-yl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (PubChem CID 159454027) has the molecular formula C137H148N24O24 and a molecular weight of 2514.83 g/mol. Its IUPAC name is 4-amino-1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxolan-2-yl]-4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]pyrimidin-2-one;[(2R,3S,4S,5R)-2-azido-5-[4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]-2-oxopyrimidin-1-yl]-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-3-yl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.

Molecular Properties

• Compound Name: 4-amino-1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxolan-2-yl]-4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]pyrimidin-2-one;[(2R,3S,4S,5R)-2-azido-5-[4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]-2-oxopyrimidin-1-yl]-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-3-yl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
• PubChem CID: 159454027
• Molecular Formula: C137H148N24O24
• Molecular Weight: 2514.83 g/mol
• Exact Mass: 2513.11
• IUPAC Name: 4-amino-1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxolan-2-yl]-4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]pyrimidin-2-one;[(2R,3S,4S,5R)-2-azido-5-[4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]-2-oxopyrimidin-1-yl]-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-3-yl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
• SMILES: CC(C)[C@H](N)C(=O)O[C@H]1[C@H](C)[C@H](n2ccc(N)nc2=O)O[C@@]1(CO)N=[N+]=[N-].COc1ccc(C(Cc2ccn([C@@H]3O[C@@](COC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)(N=[N+]=[N-])[C@@H](O)[C@@H]3C)c(=O)n2)(c2ccccc2)c2ccccc2)cc1.COc1ccc(C(Cc2ccn([C@@H]3O[C@@](COC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)(N=[N+]=[N-])[C@@H](OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]3C)c(=O)n2)(c2ccccc2)c2ccccc2)cc1.C[C@@H]1[C@H](n2ccc(N)nc2=O)O[C@@](CO)(N=[N+]=[N-])[C@H]1O
• InChI: InChI=1S/C61H64N6O9.C51H47N5O6.C15H23N7O5.C10H14N6O4/c1-41(2)52(64-57(70)76-58(4,5)6)55(68)74-53-42(3)54(75-60(53,65-66-62)40-73-61(46-25-17-11-18-26-46,47-27-19-12-20-28-47)48-31-35-51(72-8)36-32-48)67-38-37-49(63-56(67)69)39-59(43-21-13-9-14-22-43,44-23-15-10-16-24-44)45-29-33-50(71-7)34-30-45;1-36-46(57)50(54-55-52,35-61-51(40-20-12-6-13-21-40,41-22-14-7-15-23-41)42-26-30-45(60-3)31-27-42)62-47(36)56-33-32-43(53-48(56)58)34-49(37-16-8-4-9-17-37,38-18-10-5-11-19-38)39-24-28-44(59-2)29-25-39;1-7(2)10(17)13(24)26-11-8(3)12(27-15(11,6-23)20-21-18)22-5-4-9(16)19-14(22)25;1-5-7(18)10(4-17,14-15-12)20-8(5)16-3-2-6(11)13-9(16)19/h9-38,41-42,52-54H,39-40H2,1-8H3,(H,64,70);4-33,36,46-47,57H,34-35H2,1-3H3;4-5,7-8,10-12,23H,6,17H2,1-3H3,(H2,16,19,25);2-3,5,7-8,17-18H,4H2,1H3,(H2,11,13,19)/t42-,52-,53-,54+,60+;36-,46-,47+,50+;8-,10-,11-,12+,15+;5-,7-,8+,10+/m0000/s1
• InChIKey: LTSTZWKKCMFADI-CTBIEJOZSA-N
• XLogP: 20.09
• TPSA: 676.81 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 43
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2514.83
LogP ≤ 5	20.09
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxolan-2-yl]-4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]pyrimidin-2-one;[(2R,3S,4S,5R)-2-azido-5-[4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]-2-oxopyrimidin-1-yl]-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-3-yl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?

The IUPAC name of 4-amino-1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxolan-2-yl]-4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]pyrimidin-2-one;[(2R,3S,4S,5R)-2-azido-5-[4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]-2-oxopyrimidin-1-yl]-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-3-yl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (CID 159454027) is 4-amino-1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxolan-2-yl]-4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]pyrimidin-2-one;[(2R,3S,4S,5R)-2-azido-5-[4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]-2-oxopyrimidin-1-yl]-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-3-yl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.

What is the SMILES notation for 4-amino-1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxolan-2-yl]-4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]pyrimidin-2-one;[(2R,3S,4S,5R)-2-azido-5-[4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]-2-oxopyrimidin-1-yl]-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-3-yl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?

The canonical SMILES for 4-amino-1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxolan-2-yl]-4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]pyrimidin-2-one;[(2R,3S,4S,5R)-2-azido-5-[4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]-2-oxopyrimidin-1-yl]-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-3-yl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is CC(C)[C@H](N)C(=O)O[C@H]1[C@H](C)[C@H](n2ccc(N)nc2=O)O[C@@]1(CO)N=[N+]=[N-].COc1ccc(C(Cc2ccn([C@@H]3O[C@@](COC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)(N=[N+]=[N-])[C@@H](O)[C@@H]3C)c(=O)n2)(c2ccccc2)c2ccccc2)cc1.COc1ccc(C(Cc2ccn([C@@H]3O[C@@](COC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)(N=[N+]=[N-])[C@@H](OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]3C)c(=O)n2)(c2ccccc2)c2ccccc2)cc1.C[C@@H]1[C@H](n2ccc(N)nc2=O)O[C@@](CO)(N=[N+]=[N-])[C@H]1O.

What is the InChIKey of 4-amino-1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxolan-2-yl]-4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]pyrimidin-2-one;[(2R,3S,4S,5R)-2-azido-5-[4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]-2-oxopyrimidin-1-yl]-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-3-yl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?

The InChIKey is LTSTZWKKCMFADI-CTBIEJOZSA-N. The full InChI is InChI=1S/C61H64N6O9.C51H47N5O6.C15H23N7O5.C10H14N6O4/c1-41(2)52(64-57(70)76-58(4,5)6)55(68)74-53-42(3)54(75-60(53,65-66-62)40-73-61(46-25-17-11-18-26-46,47-27-19-12-20-28-47)48-31-35-51(72-8)36-32-48)67-38-37-49(63-56(67)69)39-59(43-21-13-9-14-22-43,44-23-15-10-16-24-44)45-29-33-50(71-7)34-30-45;1-36-46(57)50(54-55-52,35-61-51(40-20-12-6-13-21-40,41-22-14-7-15-23-41)42-26-30-45(60-3)31-27-42)62-47(36)56-33-32-43(53-48(56)58)34-49(37-16-8-4-9-17-37,38-18-10-5-11-19-38)39-24-28-44(59-2)29-25-39;1-7(2)10(17)13(24)26-11-8(3)12(27-15(11,6-23)20-21-18)22-5-4-9(16)19-14(22)25;1-5-7(18)10(4-17,14-15-12)20-8(5)16-3-2-6(11)13-9(16)19/h9-38,41-42,52-54H,39-40H2,1-8H3,(H,64,70);4-33,36,46-47,57H,34-35H2,1-3H3;4-5,7-8,10-12,23H,6,17H2,1-3H3,(H2,16,19,25);2-3,5,7-8,17-18H,4H2,1H3,(H2,11,13,19)/t42-,52-,53-,54+,60+;36-,46-,47+,50+;8-,10-,11-,12+,15+;5-,7-,8+,10+/m0000/s1.

What are the key properties of 4-amino-1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxolan-2-yl]-4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]pyrimidin-2-one;[(2R,3S,4S,5R)-2-azido-5-[4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]-2-oxopyrimidin-1-yl]-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-3-yl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?

4-amino-1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxolan-2-yl]-4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]pyrimidin-2-one;[(2R,3S,4S,5R)-2-azido-5-[4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]-2-oxopyrimidin-1-yl]-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-3-yl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate has a molecular weight of 2514.83 g/mol, XLogP of 20.09, 43 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxolan-2-yl]-4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]pyrimidin-2-one;[(2R,3S,4S,5R)-2-azido-5-[4-[2-(4-methoxyphenyl)-2,2-diphenylethyl]-2-oxopyrimidin-1-yl]-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-3-yl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is sourced from PubChem (CID 159454027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).