2,4,6-trioxido-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinane 2,4,6-trioxide

H3N3O6P3-3 — CID 23280265

IUPAC2,4,6-trioxido-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinane 2,4,6-trioxide
SMILESO=P1([O-])NP(=O)([O-])NP(=O)([O-])N1
InChIInChI=1S/H6N3O6P3/c4-10(5)1-11(6,7)3-12(8,9)2-10/h(H6,1,2,3,4,5,6,7,8,9)/p-3
InChIKeyZVQNDQYLARVQLQ-UHFFFAOYSA-K
MW233.96 g/mol
LogP-2.83
Rot. Bonds

About 2,4,6-trioxido-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinane 2,4,6-trioxide

2,4,6-trioxido-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinane 2,4,6-trioxide (PubChem CID 23280265) has the molecular formula H3N3O6P3-3 and a molecular weight of 233.96 g/mol. Its IUPAC name is 2,4,6-trioxido-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinane 2,4,6-trioxide.

Molecular Properties

Compound Name2,4,6-trioxido-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinane 2,4,6-trioxide
PubChem CID23280265
Molecular FormulaH3N3O6P3-3
Molecular Weight233.96 g/mol
Exact Mass233.93
IUPAC Name2,4,6-trioxido-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinane 2,4,6-trioxide
SMILESO=P1([O-])NP(=O)([O-])NP(=O)([O-])N1
InChIInChI=1S/H6N3O6P3/c4-10(5)1-11(6,7)3-12(8,9)2-10/h(H6,1,2,3,4,5,6,7,8,9)/p-3
InChIKeyZVQNDQYLARVQLQ-UHFFFAOYSA-K
XLogP-2.83
TPSA156.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.96
LogP ≤ 5-2.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trioxido-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinane 2,4,6-trioxide?
The IUPAC name of 2,4,6-trioxido-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinane 2,4,6-trioxide (CID 23280265) is 2,4,6-trioxido-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinane 2,4,6-trioxide.
What is the SMILES notation for 2,4,6-trioxido-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinane 2,4,6-trioxide?
The canonical SMILES for 2,4,6-trioxido-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinane 2,4,6-trioxide is O=P1([O-])NP(=O)([O-])NP(=O)([O-])N1.
What is the InChIKey of 2,4,6-trioxido-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinane 2,4,6-trioxide?
The InChIKey is ZVQNDQYLARVQLQ-UHFFFAOYSA-K. The full InChI is InChI=1S/H6N3O6P3/c4-10(5)1-11(6,7)3-12(8,9)2-10/h(H6,1,2,3,4,5,6,7,8,9)/p-3.
What are the key properties of 2,4,6-trioxido-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinane 2,4,6-trioxide?
2,4,6-trioxido-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinane 2,4,6-trioxide has a molecular weight of 233.96 g/mol, XLogP of -2.83, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trioxido-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinane 2,4,6-trioxide is sourced from PubChem (CID 23280265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).