tetrakis(hydroxymethyl)phosphanium;urea;sulfate

C5H16N2O9PS- — CID 156595491

IUPACtetrakis(hydroxymethyl)phosphanium;urea;sulfate
SMILESNC(N)=O.O=S(=O)([O-])[O-].OC[P+](CO)(CO)CO
InChIInChI=1S/C4H12O4P.CH4N2O.H2O4S/c5-1-9(2-6,3-7)4-8;2-1(3)4;1-5(2,3)4/h5-8H,1-4H2;(H4,2,3,4);(H2,1,2,3,4)/q+1;;/p-2
InChIKeyUMQVFBAWZJWILK-UHFFFAOYSA-L
MW311.23 g/mol
LogP-3.51
Rot. Bonds4

About tetrakis(hydroxymethyl)phosphanium;urea;sulfate

tetrakis(hydroxymethyl)phosphanium;urea;sulfate (PubChem CID 156595491) has the molecular formula C5H16N2O9PS- and a molecular weight of 311.23 g/mol. Its IUPAC name is tetrakis(hydroxymethyl)phosphanium;urea;sulfate.

Molecular Properties

Compound Nametetrakis(hydroxymethyl)phosphanium;urea;sulfate
PubChem CID156595491
Molecular FormulaC5H16N2O9PS-
Molecular Weight311.23 g/mol
Exact Mass311.03
IUPAC Nametetrakis(hydroxymethyl)phosphanium;urea;sulfate
SMILESNC(N)=O.O=S(=O)([O-])[O-].OC[P+](CO)(CO)CO
InChIInChI=1S/C4H12O4P.CH4N2O.H2O4S/c5-1-9(2-6,3-7)4-8;2-1(3)4;1-5(2,3)4/h5-8H,1-4H2;(H4,2,3,4);(H2,1,2,3,4)/q+1;;/p-2
InChIKeyUMQVFBAWZJWILK-UHFFFAOYSA-L
XLogP-3.51
TPSA230.29 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.23
LogP ≤ 5-3.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze tetrakis(hydroxymethyl)phosphanium;urea;sulfate 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 tetrakis(hydroxymethyl)phosphanium;urea;sulfate?
The IUPAC name of tetrakis(hydroxymethyl)phosphanium;urea;sulfate (CID 156595491) is tetrakis(hydroxymethyl)phosphanium;urea;sulfate.
What is the SMILES notation for tetrakis(hydroxymethyl)phosphanium;urea;sulfate?
The canonical SMILES for tetrakis(hydroxymethyl)phosphanium;urea;sulfate is NC(N)=O.O=S(=O)([O-])[O-].OC[P+](CO)(CO)CO.
What is the InChIKey of tetrakis(hydroxymethyl)phosphanium;urea;sulfate?
The InChIKey is UMQVFBAWZJWILK-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H12O4P.CH4N2O.H2O4S/c5-1-9(2-6,3-7)4-8;2-1(3)4;1-5(2,3)4/h5-8H,1-4H2;(H4,2,3,4);(H2,1,2,3,4)/q+1;;/p-2.
What are the key properties of tetrakis(hydroxymethyl)phosphanium;urea;sulfate?
tetrakis(hydroxymethyl)phosphanium;urea;sulfate has a molecular weight of 311.23 g/mol, XLogP of -3.51, 4 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(hydroxymethyl)phosphanium;urea;sulfate is sourced from PubChem (CID 156595491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).