trisodium;[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate

C10H16N2Na3O15P3 — CID 178189821

About trisodium;[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate

trisodium;[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate (PubChem CID 178189821) has the molecular formula C10H16N2Na3O15P3 and a molecular weight of 566.13 g/mol. Its IUPAC name is trisodium;[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate.

Molecular Properties

• Compound Name: trisodium;[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
• PubChem CID: 178189821
• Molecular Formula: C10H16N2Na3O15P3
• Molecular Weight: 566.13 g/mol
• Exact Mass: 565.95
• IUPAC Name: trisodium;[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
• SMILES: CN1CC([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O)[C@@H](O)[C@H]2O)C(=O)NC1=O.[Na+].[Na+].[Na+]
• InChI: InChI=1S/C10H19N2O15P3.3Na/c1-12-2-4(9(15)11-10(12)16)8-7(14)6(13)5(25-8)3-24-29(20,21)27-30(22,23)26-28(17,18)19;;;/h4-8,13-14H,2-3H2,1H3,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19);;;/q;3*+1/p-3/t4?,5-,6-,7-,8+;;;/m1.../s1
• InChIKey: QUOCWDHRXWMZPA-JPBAJAJCSA-K
• XLogP: -13.27
• TPSA: 267.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.13
LogP ≤ 5	-13.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trisodium;[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate?

The IUPAC name of trisodium;[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate (CID 178189821) is trisodium;[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate.

What is the SMILES notation for trisodium;[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate?

The canonical SMILES for trisodium;[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate is CN1CC([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O)[C@@H](O)[C@H]2O)C(=O)NC1=O.[Na+].[Na+].[Na+].

What is the InChIKey of trisodium;[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate?

The InChIKey is QUOCWDHRXWMZPA-JPBAJAJCSA-K. The full InChI is InChI=1S/C10H19N2O15P3.3Na/c1-12-2-4(9(15)11-10(12)16)8-7(14)6(13)5(25-8)3-24-29(20,21)27-30(22,23)26-28(17,18)19;;;/h4-8,13-14H,2-3H2,1H3,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19);;;/q;3*+1/p-3/t4?,5-,6-,7-,8+;;;/m1.../s1.

What are the key properties of trisodium;[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate?

trisodium;[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate has a molecular weight of 566.13 g/mol, XLogP of -13.27, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for trisodium;[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate is sourced from PubChem (CID 178189821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).