4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;butyl (2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methyloxolane-2-carboxylate

C71H94F6N32O22 — CID 157343948

About 4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;butyl (2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methyloxolane-2-carboxylate

4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;butyl (2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methyloxolane-2-carboxylate (PubChem CID 157343948) has the molecular formula C71H94F6N32O22 and a molecular weight of 1869.77 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;butyl (2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methyloxolane-2-carboxylate.

Molecular Properties

• Compound Name: 4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;butyl (2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methyloxolane-2-carboxylate
• PubChem CID: 157343948
• Molecular Formula: C71H94F6N32O22
• Molecular Weight: 1869.77 g/mol
• Exact Mass: 1868.76
• IUPAC Name: 4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;butyl (2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methyloxolane-2-carboxylate
• SMILES: CCCCOC(=O)[C@@]1(CN=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1C.C[C@H]1[C@@H](F)[C@H](n2ccc(=O)[nH]c2=O)O[C@@]1(CO)CN=[N+]=[N-].[2H]C([2H])(C)[C@@]1(CN=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1C.[2H]C([2H])(C)[C@@]1(CN=[N+]=[N-])O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1C.[2H]C([2H])(O)[C@@]1(CN=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1C.[2H]C([2H])(O)[C@@]1(CN=[N+]=[N-])O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1O
• InChI: InChI=1S/C15H20FN5O5.C12H17FN6O2.C12H16FN5O3.2C11H14FN5O4.C10H13FN6O4/c1-3-4-7-25-13(23)15(8-18-20-17)9(2)11(16)12(26-15)21-6-5-10(22)19-14(21)24;1-3-12(6-16-18-15)7(2)9(13)10(21-12)19-5-4-8(14)17-11(19)20;1-3-12(6-15-17-14)7(2)9(13)10(21-12)18-5-4-8(19)16-11(18)20;2*1-6-8(12)9(17-3-2-7(19)15-10(17)20)21-11(6,5-18)4-14-16-13;11-6-7(19)10(4-18,3-14-16-13)21-8(6)17-2-1-5(12)15-9(17)20/h5-6,9,11-12H,3-4,7-8H2,1-2H3,(H,19,22,24);4-5,7,9-10H,3,6H2,1-2H3,(H2,14,17,20);4-5,7,9-10H,3,6H2,1-2H3,(H,16,19,20);2*2-3,6,8-9,18H,4-5H2,1H3,(H,15,19,20);1-2,6-8,18-19H,3-4H2,(H2,12,15,20)/t9-,11+,12+,15-;2*7-,9+,10+,12-;2*6-,8+,9+,11+;6-,7+,8-,10-/m000001/s1/i;2*3D2;5D2;;4D2
• InChIKey: BGSPZYIQXREPAD-JZRRCQPNSA-N
• XLogP: 3.97
• TPSA: 796.42 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 38
• Rotatable Bonds: 27
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1869.77
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;butyl (2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methyloxolane-2-carboxylate?

The IUPAC name of 4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;butyl (2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methyloxolane-2-carboxylate (CID 157343948) is 4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;butyl (2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methyloxolane-2-carboxylate.

What is the SMILES notation for 4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;butyl (2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methyloxolane-2-carboxylate?

The canonical SMILES for 4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;butyl (2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methyloxolane-2-carboxylate is CCCCOC(=O)[C@@]1(CN=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1C.C[C@H]1[C@@H](F)[C@H](n2ccc(=O)[nH]c2=O)O[C@@]1(CO)CN=[N+]=[N-].[2H]C([2H])(C)[C@@]1(CN=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1C.[2H]C([2H])(C)[C@@]1(CN=[N+]=[N-])O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1C.[2H]C([2H])(O)[C@@]1(CN=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1C.[2H]C([2H])(O)[C@@]1(CN=[N+]=[N-])O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1O.

What is the InChIKey of 4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;butyl (2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methyloxolane-2-carboxylate?

The InChIKey is BGSPZYIQXREPAD-JZRRCQPNSA-N. The full InChI is InChI=1S/C15H20FN5O5.C12H17FN6O2.C12H16FN5O3.2C11H14FN5O4.C10H13FN6O4/c1-3-4-7-25-13(23)15(8-18-20-17)9(2)11(16)12(26-15)21-6-5-10(22)19-14(21)24;1-3-12(6-16-18-15)7(2)9(13)10(21-12)19-5-4-8(14)17-11(19)20;1-3-12(6-15-17-14)7(2)9(13)10(21-12)18-5-4-8(19)16-11(18)20;2*1-6-8(12)9(17-3-2-7(19)15-10(17)20)21-11(6,5-18)4-14-16-13;11-6-7(19)10(4-18,3-14-16-13)21-8(6)17-2-1-5(12)15-9(17)20/h5-6,9,11-12H,3-4,7-8H2,1-2H3,(H,19,22,24);4-5,7,9-10H,3,6H2,1-2H3,(H2,14,17,20);4-5,7,9-10H,3,6H2,1-2H3,(H,16,19,20);2*2-3,6,8-9,18H,4-5H2,1H3,(H,15,19,20);1-2,6-8,18-19H,3-4H2,(H2,12,15,20)/t9-,11+,12+,15-;2*7-,9+,10+,12-;2*6-,8+,9+,11+;6-,7+,8-,10-/m000001/s1/i;2*3D2;5D2;;4D2.

What are the key properties of 4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;butyl (2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methyloxolane-2-carboxylate?

4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;butyl (2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methyloxolane-2-carboxylate has a molecular weight of 1869.77 g/mol, XLogP of 3.97, 27 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;butyl (2R,3R,4R,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methyloxolane-2-carboxylate is sourced from PubChem (CID 157343948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).