azanium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium

C14H30N4O13P2 — CID 141394080

About azanium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium

azanium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium (PubChem CID 141394080) has the molecular formula C14H30N4O13P2 and a molecular weight of 524.36 g/mol. Its IUPAC name is azanium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium.

Molecular Properties

• Compound Name: azanium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium
• PubChem CID: 141394080
• Molecular Formula: C14H30N4O13P2
• Molecular Weight: 524.36 g/mol
• Exact Mass: 524.13
• IUPAC Name: azanium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium
• SMILES: C[N+](C)(C)CCO.O=c1ccn([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1.[NH4+]
• InChI: InChI=1S/C9H14N2O12P2.C5H14NO.H3N/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18;1-6(2,3)4-5-7;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18);7H,4-5H2,1-3H3;1H3/q;+1;/p-1/t4-,6-,7-,8-;;/m1../s1
• InChIKey: RJBWWCZGTJASFB-WFIJOQBCSA-M
• XLogP: -3.82
• TPSA: 280.23 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	524.36
LogP ≤ 5	-3.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

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 azanium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium?

The IUPAC name of azanium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium (CID 141394080) is azanium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium.

What is the SMILES notation for azanium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium?

The canonical SMILES for azanium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium is C[N+](C)(C)CCO.O=c1ccn([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1.[NH4+].

What is the InChIKey of azanium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium?

The InChIKey is RJBWWCZGTJASFB-WFIJOQBCSA-M. The full InChI is InChI=1S/C9H14N2O12P2.C5H14NO.H3N/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18;1-6(2,3)4-5-7;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18);7H,4-5H2,1-3H3;1H3/q;+1;/p-1/t4-,6-,7-,8-;;/m1../s1.

What are the key properties of azanium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium?

azanium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium has a molecular weight of 524.36 g/mol, XLogP of -3.82, 8 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for azanium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium is sourced from PubChem (CID 141394080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).