tetrakis(hydroxymethyl)azanium

C4H12NO4+ — CID 13472875

IUPACtetrakis(hydroxymethyl)azanium
SMILESOC[N+](CO)(CO)CO
InChIInChI=1S/C4H12NO4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2/q+1
InChIKeyOZAPNNUDYHYFTO-UHFFFAOYSA-N
MW138.14 g/mol
LogP-2.40
Rot. Bonds4

About tetrakis(hydroxymethyl)azanium

tetrakis(hydroxymethyl)azanium (PubChem CID 13472875) has the molecular formula C4H12NO4+ and a molecular weight of 138.14 g/mol. Its IUPAC name is tetrakis(hydroxymethyl)azanium.

Molecular Properties

Compound Nametetrakis(hydroxymethyl)azanium
PubChem CID13472875
Molecular FormulaC4H12NO4+
Molecular Weight138.14 g/mol
Exact Mass138.08
IUPAC Nametetrakis(hydroxymethyl)azanium
SMILESOC[N+](CO)(CO)CO
InChIInChI=1S/C4H12NO4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2/q+1
InChIKeyOZAPNNUDYHYFTO-UHFFFAOYSA-N
XLogP-2.40
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.14
LogP ≤ 5-2.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(hydroxymethyl)azanium?
The IUPAC name of tetrakis(hydroxymethyl)azanium (CID 13472875) is tetrakis(hydroxymethyl)azanium.
What is the SMILES notation for tetrakis(hydroxymethyl)azanium?
The canonical SMILES for tetrakis(hydroxymethyl)azanium is OC[N+](CO)(CO)CO.
What is the InChIKey of tetrakis(hydroxymethyl)azanium?
The InChIKey is OZAPNNUDYHYFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2/q+1.
What are the key properties of tetrakis(hydroxymethyl)azanium?
tetrakis(hydroxymethyl)azanium has a molecular weight of 138.14 g/mol, XLogP of -2.40, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(hydroxymethyl)azanium is sourced from PubChem (CID 13472875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).