[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-(methylamino)acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate

C149H221N23O25 — CID 158281202

About [(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-(methylamino)acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate

[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-(methylamino)acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate (PubChem CID 158281202) has the molecular formula C149H221N23O25 and a molecular weight of 2734.54 g/mol. Its IUPAC name is [(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-(methylamino)acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate.

Molecular Properties

• Compound Name: [(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-(methylamino)acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate
• PubChem CID: 158281202
• Molecular Formula: C149H221N23O25
• Molecular Weight: 2734.54 g/mol
• Exact Mass: 2732.67
• IUPAC Name: [(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-(methylamino)acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate
• SMILES: CCCCCCCCCCCCCCCCCCOc1cc(C(=O)N(C)CC(=O)Nc2ncnc3c2ncn3[C@H]2C[C@@H](OC(=O)CCC(C)=O)[C@@H](CC)O2)cc(OCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCC.CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@H]1OC(=O)CCC(C)=O.CC[C@H]1O[C@@H](n2cnc3c(NC(=O)CN(C)C(=O)OCC4c5ccccc5-c5ccccc54)ncnc32)C[C@H]1OC(=O)CCC(C)=O.CC[C@H]1O[C@@H](n2cnc3c(NC(=O)CNC)ncnc32)C[C@H]1OC(=O)CCC(C)=O
• InChI: InChI=1S/C80H138N6O9.C34H36N6O7.C19H26N6O5.C16H21N5O4/c1-7-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-58-91-71-61-68(80(90)85(6)64-73(88)84-78-76-79(82-65-81-78)86(66-83-76)74-63-70(69(10-4)94-74)95-75(89)57-56-67(5)87)62-72(92-59-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-8-2)77(71)93-60-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-9-3;1-4-26-27(47-30(43)14-13-20(2)41)15-29(46-26)40-19-37-31-32(35-18-36-33(31)40)38-28(42)16-39(3)34(44)45-17-25-23-11-7-5-9-21(23)22-10-6-8-12-24(22)25;1-4-12-13(30-16(28)6-5-11(2)26)7-15(29-12)25-10-23-17-18(21-9-22-19(17)25)24-14(27)8-20-3;1-3-10-11(25-13(23)5-4-9(2)22)6-12(24-10)21-8-20-14-15(17)18-7-19-16(14)21/h61-62,65-66,69-70,74H,7-60,63-64H2,1-6H3,(H,81,82,84,88);5-12,18-19,25-27,29H,4,13-17H2,1-3H3,(H,35,36,38,42);9-10,12-13,15,20H,4-8H2,1-3H3,(H,21,22,24,27);7-8,10-12H,3-6H2,1-2H3,(H2,17,18,19)/t69-,70-,74-;26-,27-,29-;12-,13-,15-;10-,11-,12-/m1111/s1
• InChIKey: GKFQLRGVRMYBJZ-GWKWKROSSA-N
• XLogP: 29.41
• TPSA: 587.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 43
• Rotatable Bonds: 90
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2734.54
LogP ≤ 5	29.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-(methylamino)acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate?

The IUPAC name of [(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-(methylamino)acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate (CID 158281202) is [(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-(methylamino)acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate.

What is the SMILES notation for [(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-(methylamino)acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate?

The canonical SMILES for [(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-(methylamino)acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate is CCCCCCCCCCCCCCCCCCOc1cc(C(=O)N(C)CC(=O)Nc2ncnc3c2ncn3[C@H]2C[C@@H](OC(=O)CCC(C)=O)[C@@H](CC)O2)cc(OCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCC.CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@H]1OC(=O)CCC(C)=O.CC[C@H]1O[C@@H](n2cnc3c(NC(=O)CN(C)C(=O)OCC4c5ccccc5-c5ccccc54)ncnc32)C[C@H]1OC(=O)CCC(C)=O.CC[C@H]1O[C@@H](n2cnc3c(NC(=O)CNC)ncnc32)C[C@H]1OC(=O)CCC(C)=O.

What is the InChIKey of [(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-(methylamino)acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate?

The InChIKey is GKFQLRGVRMYBJZ-GWKWKROSSA-N. The full InChI is InChI=1S/C80H138N6O9.C34H36N6O7.C19H26N6O5.C16H21N5O4/c1-7-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-58-91-71-61-68(80(90)85(6)64-73(88)84-78-76-79(82-65-81-78)86(66-83-76)74-63-70(69(10-4)94-74)95-75(89)57-56-67(5)87)62-72(92-59-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-8-2)77(71)93-60-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-9-3;1-4-26-27(47-30(43)14-13-20(2)41)15-29(46-26)40-19-37-31-32(35-18-36-33(31)40)38-28(42)16-39(3)34(44)45-17-25-23-11-7-5-9-21(23)22-10-6-8-12-24(22)25;1-4-12-13(30-16(28)6-5-11(2)26)7-15(29-12)25-10-23-17-18(21-9-22-19(17)25)24-14(27)8-20-3;1-3-10-11(25-13(23)5-4-9(2)22)6-12(24-10)21-8-20-14-15(17)18-7-19-16(14)21/h61-62,65-66,69-70,74H,7-60,63-64H2,1-6H3,(H,81,82,84,88);5-12,18-19,25-27,29H,4,13-17H2,1-3H3,(H,35,36,38,42);9-10,12-13,15,20H,4-8H2,1-3H3,(H,21,22,24,27);7-8,10-12H,3-6H2,1-2H3,(H2,17,18,19)/t69-,70-,74-;26-,27-,29-;12-,13-,15-;10-,11-,12-/m1111/s1.

What are the key properties of [(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-(methylamino)acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate?

[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-(methylamino)acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate has a molecular weight of 2734.54 g/mol, XLogP of 29.41, 90 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-(methylamino)acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate is sourced from PubChem (CID 158281202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).