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

C48H118N12O85P24-14 — CID 162269862

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

carbanide;carbanylium;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)-2H-imidazol-1-yl]-1-phosphonoethyl]phosphonic acid;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]-2H-imidazol-1-yl]-1-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;bis(hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate);methane;hydroxide (PubChem CID 162269862) has the molecular formula C48H118N12O85P24-14 and a molecular weight of 2966.85 g/mol. Its IUPAC name is carbanide;carbanylium;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)-2H-imidazol-1-yl]-1-phosphonoethyl]phosphonic acid;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]-2H-imidazol-1-yl]-1-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;bis(hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate);methane;hydroxide.

Molecular Properties

• Compound Name: carbanide;carbanylium;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)-2H-imidazol-1-yl]-1-phosphonoethyl]phosphonic acid;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]-2H-imidazol-1-yl]-1-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;bis(hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate);methane;hydroxide
• PubChem CID: 162269862
• Molecular Formula: C48H118N12O85P24-14
• Molecular Weight: 2966.85 g/mol
• Exact Mass: 2965.91
• IUPAC Name: carbanide;carbanylium;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)-2H-imidazol-1-yl]-1-phosphonoethyl]phosphonic acid;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]-2H-imidazol-1-yl]-1-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;bis(hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate);methane;hydroxide
• SMILES: C.C.C.O=P(O)(O)C(O)(CN1C=CN(CC(O)(P(=O)(O)O)P(=O)(O)O)C1)P(=O)(O)O.O=P([O-])(O)C(O)(CN1C=CN(CC(O)(P(=O)(O)O)P(=O)(O)O)C1)P(=O)(O)O.O=P([O-])(O)C(O)(CN1C=CN(CC(O)(P(=O)([O-])O)P(=O)(O)O)C1)P(=O)(O)O.O=P([O-])(O)C(O)(CN1C=CN(CC(O)(P(=O)([O-])O)P(=O)(O)O)C1)P(=O)(O)O.O=P([O-])(O)C(O)(CN1C=CN(CC(O)(P(=O)([O-])O)P(=O)(O)O)C1)P(=O)([O-])O.O=P([O-])(O)C(O)(CN1C=CN(CC(O)(P(=O)([O-])O)P(=O)([O-])O)C1)P(=O)([O-])O.[CH3+].[CH3-].[CH3-].[OH-]
• InChI: InChI=1S/6C7H18N2O14P4.3CH4.3CH3.H2O/c6*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;;;;;;;/h6*1-2,10-11H,3-5H2,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)(H2,21,22,23);3*1H4;3*1H3;1H2/q;;;;;;;;;2*-1;+1;/p-13
• InChIKey: CHNIRZXKQJUUNY-UHFFFAOYSA-A
• XLogP: -22.29
• TPSA: 1726.32 Ų
• H-Bond Donors: 48
• H-Bond Acceptors: 61
• Rotatable Bonds: 48
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2966.85
LogP ≤ 5	-22.29
H-Bond Donors ≤ 5	48
H-Bond Acceptors ≤ 10	61

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of carbanide;carbanylium;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)-2H-imidazol-1-yl]-1-phosphonoethyl]phosphonic acid;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]-2H-imidazol-1-yl]-1-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;bis(hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate);methane;hydroxide (CID 162269862) is carbanide;carbanylium;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)-2H-imidazol-1-yl]-1-phosphonoethyl]phosphonic acid;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]-2H-imidazol-1-yl]-1-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;bis(hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate);methane;hydroxide.

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

The canonical SMILES for carbanide;carbanylium;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)-2H-imidazol-1-yl]-1-phosphonoethyl]phosphonic acid;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]-2H-imidazol-1-yl]-1-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;bis(hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate);methane;hydroxide is C.C.C.O=P(O)(O)C(O)(CN1C=CN(CC(O)(P(=O)(O)O)P(=O)(O)O)C1)P(=O)(O)O.O=P([O-])(O)C(O)(CN1C=CN(CC(O)(P(=O)(O)O)P(=O)(O)O)C1)P(=O)(O)O.O=P([O-])(O)C(O)(CN1C=CN(CC(O)(P(=O)([O-])O)P(=O)(O)O)C1)P(=O)(O)O.O=P([O-])(O)C(O)(CN1C=CN(CC(O)(P(=O)([O-])O)P(=O)(O)O)C1)P(=O)(O)O.O=P([O-])(O)C(O)(CN1C=CN(CC(O)(P(=O)([O-])O)P(=O)(O)O)C1)P(=O)([O-])O.O=P([O-])(O)C(O)(CN1C=CN(CC(O)(P(=O)([O-])O)P(=O)([O-])O)C1)P(=O)([O-])O.[CH3+].[CH3-].[CH3-].[OH-].

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

The InChIKey is CHNIRZXKQJUUNY-UHFFFAOYSA-A. The full InChI is InChI=1S/6C7H18N2O14P4.3CH4.3CH3.H2O/c6*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;;;;;;;/h6*1-2,10-11H,3-5H2,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)(H2,21,22,23);3*1H4;3*1H3;1H2/q;;;;;;;;;2*-1;+1;/p-13.

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

carbanide;carbanylium;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)-2H-imidazol-1-yl]-1-phosphonoethyl]phosphonic acid;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]-2H-imidazol-1-yl]-1-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;bis(hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate);methane;hydroxide has a molecular weight of 2966.85 g/mol, XLogP of -22.29, 48 rotatable bonds, 48 hydrogen bond donors, and 61 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;carbanylium;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)-2H-imidazol-1-yl]-1-phosphonoethyl]phosphonic acid;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]-2H-imidazol-1-yl]-1-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2,2-bis[hydroxy(oxido)phosphoryl]ethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;bis(hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate);methane;hydroxide is sourced from PubChem (CID 162269862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).