[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethyl-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-(5-amino-3-methylidene-1,2,4-triazin-2-yl)-2-(chloromethyl)-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate

C38H56ClF2N7O10 — CID 160949891

About [(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethyl-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-(5-amino-3-methylidene-1,2,4-triazin-2-yl)-2-(chloromethyl)-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate

[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethyl-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-(5-amino-3-methylidene-1,2,4-triazin-2-yl)-2-(chloromethyl)-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate (PubChem CID 160949891) has the molecular formula C38H56ClF2N7O10 and a molecular weight of 844.35 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethyl-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-(5-amino-3-methylidene-1,2,4-triazin-2-yl)-2-(chloromethyl)-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethyl-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-(5-amino-3-methylidene-1,2,4-triazin-2-yl)-2-(chloromethyl)-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
• PubChem CID: 160949891
• Molecular Formula: C38H56ClF2N7O10
• Molecular Weight: 844.35 g/mol
• Exact Mass: 843.37
• IUPAC Name: [(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethyl-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-(5-amino-3-methylidene-1,2,4-triazin-2-yl)-2-(chloromethyl)-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
• SMILES: C=C1N=C(N)C=CN1[C@@H]1O[C@](CC)(COC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H]1F.C=C1N=C(N)C=NN1[C@@H]1O[C@](CCl)(COC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H]1F
• InChI: InChI=1S/C20H30FN3O5.C18H26ClFN4O5/c1-7-20(10-27-18(25)11(2)3)16(28-19(26)12(4)5)15(21)17(29-20)24-9-8-14(22)23-13(24)6;1-9(2)16(25)27-8-18(7-19)14(28-17(26)10(3)4)13(20)15(29-18)24-11(5)23-12(21)6-22-24/h8-9,11-12,15-17H,6-7,10H2,1-5H3,(H2,22,23);6,9-10,13-15H,5,7-8H2,1-4H3,(H2,21,23)/t15-,16+,17-,20-;13-,14+,15-,18-/m11/s1
• InChIKey: SVPPJOJBUZWIFF-ALHCSQQSSA-N
• XLogP: 3.81
• TPSA: 219.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.35
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethyl-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-(5-amino-3-methylidene-1,2,4-triazin-2-yl)-2-(chloromethyl)-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate?

The IUPAC name of [(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethyl-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-(5-amino-3-methylidene-1,2,4-triazin-2-yl)-2-(chloromethyl)-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate (CID 160949891) is [(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethyl-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-(5-amino-3-methylidene-1,2,4-triazin-2-yl)-2-(chloromethyl)-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate.

What is the SMILES notation for [(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethyl-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-(5-amino-3-methylidene-1,2,4-triazin-2-yl)-2-(chloromethyl)-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate?

The canonical SMILES for [(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethyl-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-(5-amino-3-methylidene-1,2,4-triazin-2-yl)-2-(chloromethyl)-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate is C=C1N=C(N)C=CN1[C@@H]1O[C@](CC)(COC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H]1F.C=C1N=C(N)C=NN1[C@@H]1O[C@](CCl)(COC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H]1F.

What is the InChIKey of [(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethyl-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-(5-amino-3-methylidene-1,2,4-triazin-2-yl)-2-(chloromethyl)-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate?

The InChIKey is SVPPJOJBUZWIFF-ALHCSQQSSA-N. The full InChI is InChI=1S/C20H30FN3O5.C18H26ClFN4O5/c1-7-20(10-27-18(25)11(2)3)16(28-19(26)12(4)5)15(21)17(29-20)24-9-8-14(22)23-13(24)6;1-9(2)16(25)27-8-18(7-19)14(28-17(26)10(3)4)13(20)15(29-18)24-11(5)23-12(21)6-22-24/h8-9,11-12,15-17H,6-7,10H2,1-5H3,(H2,22,23);6,9-10,13-15H,5,7-8H2,1-4H3,(H2,21,23)/t15-,16+,17-,20-;13-,14+,15-,18-/m11/s1.

What are the key properties of [(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethyl-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-(5-amino-3-methylidene-1,2,4-triazin-2-yl)-2-(chloromethyl)-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate?

[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethyl-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-(5-amino-3-methylidene-1,2,4-triazin-2-yl)-2-(chloromethyl)-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate has a molecular weight of 844.35 g/mol, XLogP of 3.81, 14 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethyl-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-(5-amino-3-methylidene-1,2,4-triazin-2-yl)-2-(chloromethyl)-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate is sourced from PubChem (CID 160949891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).