diazanium;benzyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]propanoate;1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione;[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [hydroxy-[naphthalen-1-yloxy-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphoryl]oxyphosphoryl] phosphate;5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphono hydrogen phosphate;tris(tetrabutylazanium);bis(triethylazanium)

C137H235ClF4N17O46P8+3 — CID 163802677

About diazanium;benzyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]propanoate;1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione;[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [hydroxy-[naphthalen-1-yloxy-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphoryl]oxyphosphoryl] phosphate;5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphono hydrogen phosphate;tris(tetrabutylazanium);bis(triethylazanium)

diazanium;benzyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]propanoate;1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione;[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [hydroxy-[naphthalen-1-yloxy-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphoryl]oxyphosphoryl] phosphate;5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphono hydrogen phosphate;tris(tetrabutylazanium);bis(triethylazanium) (PubChem CID 163802677) has the molecular formula C137H235ClF4N17O46P8+3 and a molecular weight of 3215.70 g/mol. Its IUPAC name is diazanium;benzyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]propanoate;1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione;[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [hydroxy-[naphthalen-1-yloxy-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphoryl]oxyphosphoryl] phosphate;5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphono hydrogen phosphate;tris(tetrabutylazanium);bis(triethylazanium).

Molecular Properties

• Compound Name: diazanium;benzyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]propanoate;1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione;[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [hydroxy-[naphthalen-1-yloxy-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphoryl]oxyphosphoryl] phosphate;5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphono hydrogen phosphate;tris(tetrabutylazanium);bis(triethylazanium)
• PubChem CID: 163802677
• Molecular Formula: C137H235ClF4N17O46P8+3
• Molecular Weight: 3215.70 g/mol
• Exact Mass: 3213.41
• IUPAC Name: diazanium;benzyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]propanoate;1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione;[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [hydroxy-[naphthalen-1-yloxy-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphoryl]oxyphosphoryl] phosphate;5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphono hydrogen phosphate;tris(tetrabutylazanium);bis(triethylazanium)
• SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O.CC[NH+](CC)CC.CC[NH+](CC)CC.C[C@H](NP(=O)(Cl)Oc1cccc2ccccc12)C(=O)OCc1ccccc1.C[C@H](NP(=O)(Oc1cccc2ccccc12)OP(=O)(O)OP(=O)([O-])OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)C(=O)OCc1ccccc1.O=P([O-])(O)OP(=O)(O)O.O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F.O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O)O2)cc1F.[NH4+].[NH4+]
• InChI: InChI=1S/C29H31FN3O15P3.C20H19ClNO4P.3C16H36N.C10H13FN2O4.C9H13FN2O11P2.C9H11FN2O5.2C6H15N.2H3N.H4O7P2/c1-18(28(36)43-16-19-8-3-2-4-9-19)32-49(38,46-24-13-7-11-20-10-5-6-12-21(20)24)47-51(41,42)48-50(39,40)44-17-25-23(34)14-26(45-25)33-15-22(30)27(35)31-29(33)37;1-15(20(23)25-14-16-8-3-2-4-9-16)22-27(21,24)26-19-13-7-11-17-10-5-6-12-18(17)19;3*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-7-6(14)3-8(17-7)13-4-5(11)9(15)12-10(13)16;10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(22-7)3-21-25(19,20)23-24(16,17)18;10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7;2*1-4-7(5-2)6-3;;;1-8(2,3)7-9(4,5)6/h2-13,15,18,23,25-26,34H,14,16-17H2,1H3,(H,32,38)(H,39,40)(H,41,42)(H,31,35,37);2-13,15H,14H2,1H3,(H,22,24);3*5-16H2,1-4H3;4,6-8,14H,2-3H2,1H3,(H,12,15,16);2,5-7,13H,1,3H2,(H,19,20)(H,11,14,15)(H2,16,17,18);2,5-7,13-14H,1,3H2,(H,11,15,16);2*4-6H2,1-3H3;2*1H3;(H2,1,2,3)(H2,4,5,6)/q;;3*+1;;;;;;;;/t18-,23-,25+,26+,49?;15-,27?;;;;6-,7+,8+;2*5-,6+,7+;;;;;/m00...000...../s1
• InChIKey: PJVKHYPFNXPYGK-PDGBASLASA-N
• XLogP: 17.81
• TPSA: 919.84 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 45
• Rotatable Bonds: 76
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3215.70
LogP ≤ 5	17.81
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of diazanium;benzyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]propanoate;1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione;[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [hydroxy-[naphthalen-1-yloxy-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphoryl]oxyphosphoryl] phosphate;5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphono hydrogen phosphate;tris(tetrabutylazanium);bis(triethylazanium)?

The IUPAC name of diazanium;benzyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]propanoate;1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione;[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [hydroxy-[naphthalen-1-yloxy-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphoryl]oxyphosphoryl] phosphate;5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphono hydrogen phosphate;tris(tetrabutylazanium);bis(triethylazanium) (CID 163802677) is diazanium;benzyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]propanoate;1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione;[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [hydroxy-[naphthalen-1-yloxy-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphoryl]oxyphosphoryl] phosphate;5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphono hydrogen phosphate;tris(tetrabutylazanium);bis(triethylazanium).

What is the SMILES notation for diazanium;benzyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]propanoate;1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione;[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [hydroxy-[naphthalen-1-yloxy-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphoryl]oxyphosphoryl] phosphate;5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphono hydrogen phosphate;tris(tetrabutylazanium);bis(triethylazanium)?

The canonical SMILES for diazanium;benzyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]propanoate;1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione;[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [hydroxy-[naphthalen-1-yloxy-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphoryl]oxyphosphoryl] phosphate;5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphono hydrogen phosphate;tris(tetrabutylazanium);bis(triethylazanium) is CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O.CC[NH+](CC)CC.CC[NH+](CC)CC.C[C@H](NP(=O)(Cl)Oc1cccc2ccccc12)C(=O)OCc1ccccc1.C[C@H](NP(=O)(Oc1cccc2ccccc12)OP(=O)(O)OP(=O)([O-])OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)C(=O)OCc1ccccc1.O=P([O-])(O)OP(=O)(O)O.O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F.O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O)O2)cc1F.[NH4+].[NH4+].

What is the InChIKey of diazanium;benzyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]propanoate;1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione;[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [hydroxy-[naphthalen-1-yloxy-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphoryl]oxyphosphoryl] phosphate;5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphono hydrogen phosphate;tris(tetrabutylazanium);bis(triethylazanium)?

The InChIKey is PJVKHYPFNXPYGK-PDGBASLASA-N. The full InChI is InChI=1S/C29H31FN3O15P3.C20H19ClNO4P.3C16H36N.C10H13FN2O4.C9H13FN2O11P2.C9H11FN2O5.2C6H15N.2H3N.H4O7P2/c1-18(28(36)43-16-19-8-3-2-4-9-19)32-49(38,46-24-13-7-11-20-10-5-6-12-21(20)24)47-51(41,42)48-50(39,40)44-17-25-23(34)14-26(45-25)33-15-22(30)27(35)31-29(33)37;1-15(20(23)25-14-16-8-3-2-4-9-16)22-27(21,24)26-19-13-7-11-17-10-5-6-12-18(17)19;3*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-7-6(14)3-8(17-7)13-4-5(11)9(15)12-10(13)16;10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(22-7)3-21-25(19,20)23-24(16,17)18;10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7;2*1-4-7(5-2)6-3;;;1-8(2,3)7-9(4,5)6/h2-13,15,18,23,25-26,34H,14,16-17H2,1H3,(H,32,38)(H,39,40)(H,41,42)(H,31,35,37);2-13,15H,14H2,1H3,(H,22,24);3*5-16H2,1-4H3;4,6-8,14H,2-3H2,1H3,(H,12,15,16);2,5-7,13H,1,3H2,(H,19,20)(H,11,14,15)(H2,16,17,18);2,5-7,13-14H,1,3H2,(H,11,15,16);2*4-6H2,1-3H3;2*1H3;(H2,1,2,3)(H2,4,5,6)/q;;3*+1;;;;;;;;/t18-,23-,25+,26+,49?;15-,27?;;;;6-,7+,8+;2*5-,6+,7+;;;;;/m00...000...../s1.

What are the key properties of diazanium;benzyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]propanoate;1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione;[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [hydroxy-[naphthalen-1-yloxy-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphoryl]oxyphosphoryl] phosphate;5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphono hydrogen phosphate;tris(tetrabutylazanium);bis(triethylazanium)?

diazanium;benzyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]propanoate;1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione;[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [hydroxy-[naphthalen-1-yloxy-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphoryl]oxyphosphoryl] phosphate;5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphono hydrogen phosphate;tris(tetrabutylazanium);bis(triethylazanium) has a molecular weight of 3215.70 g/mol, XLogP of 17.81, 76 rotatable bonds, 20 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for diazanium;benzyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]propanoate;1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione;[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [hydroxy-[naphthalen-1-yloxy-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphoryl]oxyphosphoryl] phosphate;5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphono hydrogen phosphate;tris(tetrabutylazanium);bis(triethylazanium) is sourced from PubChem (CID 163802677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).