carbanide;carbanylium;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-3-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;methane

C31H72N8O56P16-2 — CID 162272433

About carbanide;carbanylium;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-3-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;methane

carbanide;carbanylium;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-3-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;methane (PubChem CID 162272433) has the molecular formula C31H72N8O56P16-2 and a molecular weight of 1948.50 g/mol. Its IUPAC name is carbanide;carbanylium;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-3-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;methane.

Molecular Properties

• Compound Name: carbanide;carbanylium;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-3-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;methane
• PubChem CID: 162272433
• Molecular Formula: C31H72N8O56P16-2
• Molecular Weight: 1948.50 g/mol
• Exact Mass: 1947.88
• IUPAC Name: carbanide;carbanylium;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-3-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;methane
• SMILES: C.O=P(O)(O)C(O)(Cn1cc[n+](CC(O)(P(=O)(O)O)P(=O)(O)O)c1)P(=O)(O)O.O=P([O-])(O)C(O)(Cn1cc[n+](CC(O)(P(=O)(O)O)P(=O)(O)O)c1)P(=O)(O)O.O=P([O-])(O)C(O)(Cn1cc[n+](CC(O)(P(=O)([O-])O)P(=O)(O)O)c1)P(=O)(O)O.O=P([O-])(O)C(O)(Cn1cc[n+](CC(O)(P(=O)([O-])O)P(=O)(O)O)c1)P(=O)([O-])O.[CH3+].[CH3-]
• InChI: InChI=1S/4C7H16N2O14P4.CH4.2CH3/c4*10-6(24(12,13)14,25(15,16)17)3-8-1-2-9(5-8)4-7(11,26(18,19)20)27(21,22)23;;;/h4*1-2,5,10-11H,3-4H2,(H7-,12,13,14,15,16,17,18,19,20,21,22,23);1H4;2*1H3/q;;;;;-1;+1/p-2
• InChIKey: HFYFLYQBZFTGTQ-UHFFFAOYSA-L
• XLogP: -15.14
• TPSA: 1134.54 Ų
• H-Bond Donors: 34
• H-Bond Acceptors: 34
• Rotatable Bonds: 32
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1948.50
LogP ≤ 5	-15.14
H-Bond Donors ≤ 5	34
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;carbanylium;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-3-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;methane?

The IUPAC name of carbanide;carbanylium;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-3-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;methane (CID 162272433) is carbanide;carbanylium;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-3-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;methane.

What is the SMILES notation for carbanide;carbanylium;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-3-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;methane?

The canonical SMILES for carbanide;carbanylium;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-3-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;methane is C.O=P(O)(O)C(O)(Cn1cc[n+](CC(O)(P(=O)(O)O)P(=O)(O)O)c1)P(=O)(O)O.O=P([O-])(O)C(O)(Cn1cc[n+](CC(O)(P(=O)(O)O)P(=O)(O)O)c1)P(=O)(O)O.O=P([O-])(O)C(O)(Cn1cc[n+](CC(O)(P(=O)([O-])O)P(=O)(O)O)c1)P(=O)(O)O.O=P([O-])(O)C(O)(Cn1cc[n+](CC(O)(P(=O)([O-])O)P(=O)(O)O)c1)P(=O)([O-])O.[CH3+].[CH3-].

What is the InChIKey of carbanide;carbanylium;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-3-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;methane?

The InChIKey is HFYFLYQBZFTGTQ-UHFFFAOYSA-L. The full InChI is InChI=1S/4C7H16N2O14P4.CH4.2CH3/c4*10-6(24(12,13)14,25(15,16)17)3-8-1-2-9(5-8)4-7(11,26(18,19)20)27(21,22)23;;;/h4*1-2,5,10-11H,3-4H2,(H7-,12,13,14,15,16,17,18,19,20,21,22,23);1H4;2*1H3/q;;;;;-1;+1/p-2.

What are the key properties of carbanide;carbanylium;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-3-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;methane?

carbanide;carbanylium;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-3-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;methane has a molecular weight of 1948.50 g/mol, XLogP of -15.14, 32 rotatable bonds, 34 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;carbanylium;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-3-ium-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphinate;methane is sourced from PubChem (CID 162272433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).