azane;[4-[[[hydroxy-[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-tetradecylphosphoryl]oxymethyl]phenyl] pentanoate

C36H63N4O14P3 — CID 162673030

About azane;[4-[[[hydroxy-[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-tetradecylphosphoryl]oxymethyl]phenyl] pentanoate

azane;[4-[[[hydroxy-[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-tetradecylphosphoryl]oxymethyl]phenyl] pentanoate (PubChem CID 162673030) has the molecular formula C36H63N4O14P3 and a molecular weight of 868.84 g/mol. Its IUPAC name is azane;[4-[[[hydroxy-[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-tetradecylphosphoryl]oxymethyl]phenyl] pentanoate.

Molecular Properties

• Compound Name: azane;[4-[[[hydroxy-[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-tetradecylphosphoryl]oxymethyl]phenyl] pentanoate
• PubChem CID: 162673030
• Molecular Formula: C36H63N4O14P3
• Molecular Weight: 868.84 g/mol
• Exact Mass: 868.36
• IUPAC Name: azane;[4-[[[hydroxy-[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-tetradecylphosphoryl]oxymethyl]phenyl] pentanoate
• SMILES: CCCCCCCCCCCCCCP(=O)(OCc1ccc(OC(=O)CCCC)cc1)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1.N.N
• InChI: InChI=1S/C36H57N2O14P3.2H3N/c1-4-6-8-9-10-11-12-13-14-15-16-17-25-53(42,47-27-30-19-21-31(22-20-30)50-34(39)18-7-5-2)51-55(45,46)52-54(43,44)48-28-32-23-24-33(49-32)38-26-29(3)35(40)37-36(38)41;;/h19-24,26,32-33H,4-18,25,27-28H2,1-3H3,(H,43,44)(H,45,46)(H,37,40,41);2*1H3/t32-,33+,53?;;/m0../s1
• InChIKey: ZCBJCZACZVYZJJ-JTYDYPLESA-N
• XLogP: 9.08
• TPSA: 288.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 28
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	868.84
LogP ≤ 5	9.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azane;[4-[[[hydroxy-[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-tetradecylphosphoryl]oxymethyl]phenyl] pentanoate?

The IUPAC name of azane;[4-[[[hydroxy-[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-tetradecylphosphoryl]oxymethyl]phenyl] pentanoate (CID 162673030) is azane;[4-[[[hydroxy-[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-tetradecylphosphoryl]oxymethyl]phenyl] pentanoate.

What is the SMILES notation for azane;[4-[[[hydroxy-[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-tetradecylphosphoryl]oxymethyl]phenyl] pentanoate?

The canonical SMILES for azane;[4-[[[hydroxy-[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-tetradecylphosphoryl]oxymethyl]phenyl] pentanoate is CCCCCCCCCCCCCCP(=O)(OCc1ccc(OC(=O)CCCC)cc1)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1.N.N.

What is the InChIKey of azane;[4-[[[hydroxy-[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-tetradecylphosphoryl]oxymethyl]phenyl] pentanoate?

The InChIKey is ZCBJCZACZVYZJJ-JTYDYPLESA-N. The full InChI is InChI=1S/C36H57N2O14P3.2H3N/c1-4-6-8-9-10-11-12-13-14-15-16-17-25-53(42,47-27-30-19-21-31(22-20-30)50-34(39)18-7-5-2)51-55(45,46)52-54(43,44)48-28-32-23-24-33(49-32)38-26-29(3)35(40)37-36(38)41;;/h19-24,26,32-33H,4-18,25,27-28H2,1-3H3,(H,43,44)(H,45,46)(H,37,40,41);2*1H3/t32-,33+,53?;;/m0../s1.

What are the key properties of azane;[4-[[[hydroxy-[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-tetradecylphosphoryl]oxymethyl]phenyl] pentanoate?

azane;[4-[[[hydroxy-[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-tetradecylphosphoryl]oxymethyl]phenyl] pentanoate has a molecular weight of 868.84 g/mol, XLogP of 9.08, 28 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for azane;[4-[[[hydroxy-[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-tetradecylphosphoryl]oxymethyl]phenyl] pentanoate is sourced from PubChem (CID 162673030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).