[(2R)-2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]-3-propan-2-yloxypropyl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(2,4-difluoro-5-methylphenyl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(6-fluoro-4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate

C71H112F3N9O25P4 — CID 160599186

About [(2R)-2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]-3-propan-2-yloxypropyl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(2,4-difluoro-5-methylphenyl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(6-fluoro-4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate

[(2R)-2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]-3-propan-2-yloxypropyl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(2,4-difluoro-5-methylphenyl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(6-fluoro-4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate (PubChem CID 160599186) has the molecular formula C71H112F3N9O25P4 and a molecular weight of 1672.60 g/mol. Its IUPAC name is [(2R)-2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]-3-propan-2-yloxypropyl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(2,4-difluoro-5-methylphenyl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(6-fluoro-4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate.

Molecular Properties

• Compound Name: [(2R)-2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]-3-propan-2-yloxypropyl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(2,4-difluoro-5-methylphenyl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(6-fluoro-4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate
• PubChem CID: 160599186
• Molecular Formula: C71H112F3N9O25P4
• Molecular Weight: 1672.60 g/mol
• Exact Mass: 1671.67
• IUPAC Name: [(2R)-2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]-3-propan-2-yloxypropyl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(2,4-difluoro-5-methylphenyl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(6-fluoro-4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate
• SMILES: CC(C)OC[C@H](COP(=O)(O)OC(C)C)OCN1C=NC2C(=O)NC(N)=NC21.Cc1cc(F)cc2c1ncn2[C@H]1CC(OP(=O)(O)OC(C)C)[C@@H](COC(C)C)O1.Cc1cc([C@H]2CC(OP(=O)(O)OC(C)C)[C@@H](COC(C)C)O2)c(F)cc1F.Cc1cccc2c1ncn2[C@H]1CC(OP(=O)(O)OC(C)C)[C@@H](COC(C)C)O1
• InChI: InChI=1S/C19H28FN2O6P.C19H29N2O6P.C18H27F2O6P.C15H28N5O7P/c1-11(2)25-9-17-16(28-29(23,24)27-12(3)4)8-18(26-17)22-10-21-19-13(5)6-14(20)7-15(19)22;1-12(2)24-10-17-16(27-28(22,23)26-13(3)4)9-18(25-17)21-11-20-19-14(5)7-6-8-15(19)21;1-10(2)23-9-18-17(26-27(21,22)25-11(3)4)8-16(24-18)13-6-12(5)14(19)7-15(13)20;1-9(2)24-5-11(6-26-28(22,23)27-10(3)4)25-8-20-7-17-12-13(20)18-15(16)19-14(12)21/h6-7,10-12,16-18H,8-9H2,1-5H3,(H,23,24);6-8,11-13,16-18H,9-10H2,1-5H3,(H,22,23);6-7,10-11,16-18H,8-9H2,1-5H3,(H,21,22);7,9-13H,5-6,8H2,1-4H3,(H,22,23)(H3,16,18,19,21)/t2*16?,17-,18-;16-,17?,18-;11-,12?,13?/m1111/s1
• InChIKey: REAUJOHPZBFKAU-BAACBDSOSA-N
• XLogP: 12.29
• TPSA: 415.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 35
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1672.60
LogP ≤ 5	12.29
H-Bond Donors ≤ 5	6
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 [(2R)-2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]-3-propan-2-yloxypropyl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(2,4-difluoro-5-methylphenyl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(6-fluoro-4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate?

The IUPAC name of [(2R)-2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]-3-propan-2-yloxypropyl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(2,4-difluoro-5-methylphenyl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(6-fluoro-4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate (CID 160599186) is [(2R)-2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]-3-propan-2-yloxypropyl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(2,4-difluoro-5-methylphenyl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(6-fluoro-4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate.

What is the SMILES notation for [(2R)-2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]-3-propan-2-yloxypropyl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(2,4-difluoro-5-methylphenyl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(6-fluoro-4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate?

The canonical SMILES for [(2R)-2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]-3-propan-2-yloxypropyl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(2,4-difluoro-5-methylphenyl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(6-fluoro-4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate is CC(C)OC[C@H](COP(=O)(O)OC(C)C)OCN1C=NC2C(=O)NC(N)=NC21.Cc1cc(F)cc2c1ncn2[C@H]1CC(OP(=O)(O)OC(C)C)[C@@H](COC(C)C)O1.Cc1cc([C@H]2CC(OP(=O)(O)OC(C)C)[C@@H](COC(C)C)O2)c(F)cc1F.Cc1cccc2c1ncn2[C@H]1CC(OP(=O)(O)OC(C)C)[C@@H](COC(C)C)O1.

What is the InChIKey of [(2R)-2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]-3-propan-2-yloxypropyl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(2,4-difluoro-5-methylphenyl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(6-fluoro-4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate?

The InChIKey is REAUJOHPZBFKAU-BAACBDSOSA-N. The full InChI is InChI=1S/C19H28FN2O6P.C19H29N2O6P.C18H27F2O6P.C15H28N5O7P/c1-11(2)25-9-17-16(28-29(23,24)27-12(3)4)8-18(26-17)22-10-21-19-13(5)6-14(20)7-15(19)22;1-12(2)24-10-17-16(27-28(22,23)26-13(3)4)9-18(25-17)21-11-20-19-14(5)7-6-8-15(19)21;1-10(2)23-9-18-17(26-27(21,22)25-11(3)4)8-16(24-18)13-6-12(5)14(19)7-15(13)20;1-9(2)24-5-11(6-26-28(22,23)27-10(3)4)25-8-20-7-17-12-13(20)18-15(16)19-14(12)21/h6-7,10-12,16-18H,8-9H2,1-5H3,(H,23,24);6-8,11-13,16-18H,9-10H2,1-5H3,(H,22,23);6-7,10-11,16-18H,8-9H2,1-5H3,(H,21,22);7,9-13H,5-6,8H2,1-4H3,(H,22,23)(H3,16,18,19,21)/t2*16?,17-,18-;16-,17?,18-;11-,12?,13?/m1111/s1.

What are the key properties of [(2R)-2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]-3-propan-2-yloxypropyl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(2,4-difluoro-5-methylphenyl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(6-fluoro-4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate?

[(2R)-2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]-3-propan-2-yloxypropyl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(2,4-difluoro-5-methylphenyl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(6-fluoro-4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate has a molecular weight of 1672.60 g/mol, XLogP of 12.29, 35 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]-3-propan-2-yloxypropyl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(2,4-difluoro-5-methylphenyl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(6-fluoro-4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate;[(2R,5R)-5-(4-methylbenzimidazol-1-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl] propan-2-yl hydrogen phosphate is sourced from PubChem (CID 160599186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).