4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinan-2-one;[[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate

C36H66F8N12O34P6 — CID 158847694

About 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinan-2-one;[[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate

4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinan-2-one;[[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate (PubChem CID 158847694) has the molecular formula C36H66F8N12O34P6 and a molecular weight of 1548.80 g/mol. Its IUPAC name is 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinan-2-one;[[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate.

Molecular Properties

• Compound Name: 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinan-2-one;[[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
• PubChem CID: 158847694
• Molecular Formula: C36H66F8N12O34P6
• Molecular Weight: 1548.80 g/mol
• Exact Mass: 1548.21
• IUPAC Name: 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinan-2-one;[[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
• SMILES: NC1CCN([C@@H]2O[C@H](CO)[C@H](O)C2(F)F)C(=O)N1.NC1CCN([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)C2(F)F)C(=O)N1.NC1CCN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)C2(F)F)C(=O)N1.NC1CCN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)C2(F)F)C(=O)N1
• InChI: InChI=1S/C9H18F2N3O13P3.C9H17F2N3O10P2.C9H16F2N3O7P.C9H15F2N3O4/c10-9(11)6(15)4(25-7(9)14-2-1-5(12)13-8(14)16)3-24-29(20,21)27-30(22,23)26-28(17,18)19;10-9(11)6(15)4(3-22-26(20,21)24-25(17,18)19)23-7(9)14-2-1-5(12)13-8(14)16;10-9(11)6(15)4(3-20-22(17,18)19)21-7(9)14-2-1-5(12)13-8(14)16;10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h4-7,15H,1-3,12H2,(H,13,16)(H,20,21)(H,22,23)(H2,17,18,19);4-7,15H,1-3,12H2,(H,13,16)(H,20,21)(H2,17,18,19);4-7,15H,1-3,12H2,(H,13,16)(H2,17,18,19);4-7,15-16H,1-3,12H2,(H,13,17)/t4*4-,5?,6+,7-/m1111/s1
• InChIKey: IZASSTVDBPLDMQ-CSJHGRAYSA-N
• XLogP: -5.70
• TPSA: 711.38 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1548.80
LogP ≤ 5	-5.70
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinan-2-one;[[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate?

The IUPAC name of 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinan-2-one;[[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate (CID 158847694) is 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinan-2-one;[[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate.

What is the SMILES notation for 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinan-2-one;[[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate?

The canonical SMILES for 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinan-2-one;[[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate is NC1CCN([C@@H]2O[C@H](CO)[C@H](O)C2(F)F)C(=O)N1.NC1CCN([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)C2(F)F)C(=O)N1.NC1CCN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)C2(F)F)C(=O)N1.NC1CCN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)C2(F)F)C(=O)N1.

What is the InChIKey of 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinan-2-one;[[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate?

The InChIKey is IZASSTVDBPLDMQ-CSJHGRAYSA-N. The full InChI is InChI=1S/C9H18F2N3O13P3.C9H17F2N3O10P2.C9H16F2N3O7P.C9H15F2N3O4/c10-9(11)6(15)4(25-7(9)14-2-1-5(12)13-8(14)16)3-24-29(20,21)27-30(22,23)26-28(17,18)19;10-9(11)6(15)4(3-22-26(20,21)24-25(17,18)19)23-7(9)14-2-1-5(12)13-8(14)16;10-9(11)6(15)4(3-20-22(17,18)19)21-7(9)14-2-1-5(12)13-8(14)16;10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h4-7,15H,1-3,12H2,(H,13,16)(H,20,21)(H,22,23)(H2,17,18,19);4-7,15H,1-3,12H2,(H,13,16)(H,20,21)(H2,17,18,19);4-7,15H,1-3,12H2,(H,13,16)(H2,17,18,19);4-7,15-16H,1-3,12H2,(H,13,17)/t4*4-,5?,6+,7-/m1111/s1.

What are the key properties of 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinan-2-one;[[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate?

4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinan-2-one;[[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate has a molecular weight of 1548.80 g/mol, XLogP of -5.70, 20 rotatable bonds, 22 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinan-2-one;[[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxo-1,3-diazinan-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate is sourced from PubChem (CID 158847694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).