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

C43H97N12O85P24-15 — CID 162301473

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

carbanide;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;bis(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;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;hydroxide (PubChem CID 162301473) has the molecular formula C43H97N12O85P24-15 and a molecular weight of 2885.62 g/mol. Its IUPAC name is carbanide;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;bis(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;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;hydroxide.

Molecular Properties

• Compound Name: carbanide;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;bis(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;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;hydroxide
• PubChem CID: 162301473
• Molecular Formula: C43H97N12O85P24-15
• Molecular Weight: 2885.62 g/mol
• Exact Mass: 2884.74
• IUPAC Name: carbanide;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;bis(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;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;hydroxide
• SMILES: 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)(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-].[OH-]
• InChI: InChI=1S/5C7H18N2O14P4.C7H16N2O14P4.CH3.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;;/h5*1-2,10-11H,3-5H2,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)(H2,21,22,23);1-2,5,10-11H,3-4H2,(H7-,12,13,14,15,16,17,18,19,20,21,22,23);1H3;1H2/q;;;;;;-1;/p-14
• InChIKey: RMQHRPZIYQHXKY-UHFFFAOYSA-A
• XLogP: -26.62
• TPSA: 1734.31 Ų
• H-Bond Donors: 46
• H-Bond Acceptors: 62
• Rotatable Bonds: 48
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2885.62
LogP ≤ 5	-26.62
H-Bond Donors ≤ 5	46
H-Bond Acceptors ≤ 10	62

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;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;bis(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;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;hydroxide?

The IUPAC name of carbanide;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;bis(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;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;hydroxide (CID 162301473) is carbanide;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;bis(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;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;hydroxide.

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

The canonical SMILES for carbanide;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;bis(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;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;hydroxide is 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)(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-].[OH-].

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

The InChIKey is RMQHRPZIYQHXKY-UHFFFAOYSA-A. The full InChI is InChI=1S/5C7H18N2O14P4.C7H16N2O14P4.CH3.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;;/h5*1-2,10-11H,3-5H2,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)(H2,21,22,23);1-2,5,10-11H,3-4H2,(H7-,12,13,14,15,16,17,18,19,20,21,22,23);1H3;1H2/q;;;;;;-1;/p-14.

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

carbanide;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;bis(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;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;hydroxide has a molecular weight of 2885.62 g/mol, XLogP of -26.62, 48 rotatable bonds, 46 hydrogen bond donors, and 62 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid;bis(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;hydroxy-[1-hydroxy-2-[3-[2-hydroxy-2-[hydroxy(oxido)phosphoryl]-2-phosphonoethyl]-2H-imidazol-1-yl]-1-phosphonoethyl]phosphinate;hydroxide is sourced from PubChem (CID 162301473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).