hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium;triazine

C3H6N3O8P3+2 — CID 159387391

IUPAChydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium;triazine
SMILESO=[P+](O)OP(=O)(O)O[P+](=O)O.c1cnnnc1
InChIInChI=1S/C3H3N3.HO8P3/c1-2-4-6-5-3-1;1-9(2)7-11(5,6)8-10(3)4/h1-3H;(H-2,1,2,3,4,5,6)/p+2
InChIKeyLAWNCAODDCDZQN-UHFFFAOYSA-P
MW305.02 g/mol
LogP0.29
Rot. Bonds4

About hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium;triazine

hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium;triazine (PubChem CID 159387391) has the molecular formula C3H6N3O8P3+2 and a molecular weight of 305.02 g/mol. Its IUPAC name is hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium;triazine.

Molecular Properties

Compound Namehydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium;triazine
PubChem CID159387391
Molecular FormulaC3H6N3O8P3+2
Molecular Weight305.02 g/mol
Exact Mass304.94
IUPAC Namehydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium;triazine
SMILESO=[P+](O)OP(=O)(O)O[P+](=O)O.c1cnnnc1
InChIInChI=1S/C3H3N3.HO8P3/c1-2-4-6-5-3-1;1-9(2)7-11(5,6)8-10(3)4/h1-3H;(H-2,1,2,3,4,5,6)/p+2
InChIKeyLAWNCAODDCDZQN-UHFFFAOYSA-P
XLogP0.29
TPSA169.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.02
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium;triazine?
The IUPAC name of hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium;triazine (CID 159387391) is hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium;triazine.
What is the SMILES notation for hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium;triazine?
The canonical SMILES for hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium;triazine is O=[P+](O)OP(=O)(O)O[P+](=O)O.c1cnnnc1.
What is the InChIKey of hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium;triazine?
The InChIKey is LAWNCAODDCDZQN-UHFFFAOYSA-P. The full InChI is InChI=1S/C3H3N3.HO8P3/c1-2-4-6-5-3-1;1-9(2)7-11(5,6)8-10(3)4/h1-3H;(H-2,1,2,3,4,5,6)/p+2.
What are the key properties of hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium;triazine?
hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium;triazine has a molecular weight of 305.02 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium;triazine is sourced from PubChem (CID 159387391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).