aminophosphonic acid;dihydroxy(oxo)phosphanium;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trihydroxy(sulfanylidene)-λ5-phosphane

H12NO11P4S3+ — CID 159189351

About aminophosphonic acid;dihydroxy(oxo)phosphanium;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trihydroxy(sulfanylidene)-λ5-phosphane

aminophosphonic acid;dihydroxy(oxo)phosphanium;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trihydroxy(sulfanylidene)-λ5-phosphane (PubChem CID 159189351) has the molecular formula H12NO11P4S3+ and a molecular weight of 422.19 g/mol. Its IUPAC name is aminophosphonic acid;dihydroxy(oxo)phosphanium;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trihydroxy(sulfanylidene)-λ5-phosphane.

Molecular Properties

• Compound Name: aminophosphonic acid;dihydroxy(oxo)phosphanium;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trihydroxy(sulfanylidene)-λ5-phosphane
• PubChem CID: 159189351
• Molecular Formula: H12NO11P4S3+
• Molecular Weight: 422.19 g/mol
• Exact Mass: 421.85
• IUPAC Name: aminophosphonic acid;dihydroxy(oxo)phosphanium;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trihydroxy(sulfanylidene)-λ5-phosphane
• SMILES: NP(=O)(O)O.O=[P+](O)O.OP(O)(=S)S.OP(O)(O)=S
• InChI: InChI=1S/H4NO3P.H3O3PS.HO3P.H3O2PS2/c1-5(2,3)4;1-4(2,3)5;1-4(2)3;1-3(2,4)5/h(H4,1,2,3,4);(H3,1,2,3,5);(H-,1,2,3);(H3,1,2,4,5)/p+1
• InChIKey: LHLYQEQUKTVZHN-UHFFFAOYSA-O
• XLogP: -2.02
• TPSA: 242.23 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.19
LogP ≤ 5	-2.02
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of aminophosphonic acid;dihydroxy(oxo)phosphanium;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trihydroxy(sulfanylidene)-λ5-phosphane?

The IUPAC name of aminophosphonic acid;dihydroxy(oxo)phosphanium;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trihydroxy(sulfanylidene)-λ5-phosphane (CID 159189351) is aminophosphonic acid;dihydroxy(oxo)phosphanium;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trihydroxy(sulfanylidene)-λ5-phosphane.

What is the SMILES notation for aminophosphonic acid;dihydroxy(oxo)phosphanium;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trihydroxy(sulfanylidene)-λ5-phosphane?

The canonical SMILES for aminophosphonic acid;dihydroxy(oxo)phosphanium;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trihydroxy(sulfanylidene)-λ5-phosphane is NP(=O)(O)O.O=[P+](O)O.OP(O)(=S)S.OP(O)(O)=S.

What is the InChIKey of aminophosphonic acid;dihydroxy(oxo)phosphanium;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trihydroxy(sulfanylidene)-λ5-phosphane?

The InChIKey is LHLYQEQUKTVZHN-UHFFFAOYSA-O. The full InChI is InChI=1S/H4NO3P.H3O3PS.HO3P.H3O2PS2/c1-5(2,3)4;1-4(2,3)5;1-4(2)3;1-3(2,4)5/h(H4,1,2,3,4);(H3,1,2,3,5);(H-,1,2,3);(H3,1,2,4,5)/p+1.

What are the key properties of aminophosphonic acid;dihydroxy(oxo)phosphanium;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trihydroxy(sulfanylidene)-λ5-phosphane?

aminophosphonic acid;dihydroxy(oxo)phosphanium;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trihydroxy(sulfanylidene)-λ5-phosphane has a molecular weight of 422.19 g/mol, XLogP of -2.02, 0 rotatable bonds, 11 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for aminophosphonic acid;dihydroxy(oxo)phosphanium;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trihydroxy(sulfanylidene)-λ5-phosphane is sourced from PubChem (CID 159189351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).