tris(hydroxymethyl)-[[tris(hydroxymethyl)azaniumyl]methyl]azanium

C7H20N2O6+2 — CID 19957466

IUPACtris(hydroxymethyl)-[[tris(hydroxymethyl)azaniumyl]methyl]azanium
SMILESOC[N+](CO)(CO)C[N+](CO)(CO)CO
InChIInChI=1S/C7H20N2O6/c10-2-8(3-11,4-12)1-9(5-13,6-14)7-15/h10-15H,1-7H2/q+2
InChIKeyCCYBIXCQPMLDTN-UHFFFAOYSA-N
MW228.24 g/mol
LogP-3.72
Rot. Bonds8

About tris(hydroxymethyl)-[[tris(hydroxymethyl)azaniumyl]methyl]azanium

tris(hydroxymethyl)-[[tris(hydroxymethyl)azaniumyl]methyl]azanium (PubChem CID 19957466) has the molecular formula C7H20N2O6+2 and a molecular weight of 228.24 g/mol. Its IUPAC name is tris(hydroxymethyl)-[[tris(hydroxymethyl)azaniumyl]methyl]azanium.

Molecular Properties

Compound Nametris(hydroxymethyl)-[[tris(hydroxymethyl)azaniumyl]methyl]azanium
PubChem CID19957466
Molecular FormulaC7H20N2O6+2
Molecular Weight228.24 g/mol
Exact Mass228.13
IUPAC Nametris(hydroxymethyl)-[[tris(hydroxymethyl)azaniumyl]methyl]azanium
SMILESOC[N+](CO)(CO)C[N+](CO)(CO)CO
InChIInChI=1S/C7H20N2O6/c10-2-8(3-11,4-12)1-9(5-13,6-14)7-15/h10-15H,1-7H2/q+2
InChIKeyCCYBIXCQPMLDTN-UHFFFAOYSA-N
XLogP-3.72
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.24
LogP ≤ 5-3.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze tris(hydroxymethyl)-[[tris(hydroxymethyl)azaniumyl]methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tris(hydroxymethyl)-[[tris(hydroxymethyl)azaniumyl]methyl]azanium?
The IUPAC name of tris(hydroxymethyl)-[[tris(hydroxymethyl)azaniumyl]methyl]azanium (CID 19957466) is tris(hydroxymethyl)-[[tris(hydroxymethyl)azaniumyl]methyl]azanium.
What is the SMILES notation for tris(hydroxymethyl)-[[tris(hydroxymethyl)azaniumyl]methyl]azanium?
The canonical SMILES for tris(hydroxymethyl)-[[tris(hydroxymethyl)azaniumyl]methyl]azanium is OC[N+](CO)(CO)C[N+](CO)(CO)CO.
What is the InChIKey of tris(hydroxymethyl)-[[tris(hydroxymethyl)azaniumyl]methyl]azanium?
The InChIKey is CCYBIXCQPMLDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H20N2O6/c10-2-8(3-11,4-12)1-9(5-13,6-14)7-15/h10-15H,1-7H2/q+2.
What are the key properties of tris(hydroxymethyl)-[[tris(hydroxymethyl)azaniumyl]methyl]azanium?
tris(hydroxymethyl)-[[tris(hydroxymethyl)azaniumyl]methyl]azanium has a molecular weight of 228.24 g/mol, XLogP of -3.72, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(hydroxymethyl)-[[tris(hydroxymethyl)azaniumyl]methyl]azanium is sourced from PubChem (CID 19957466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).