[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-(hydroxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-dimethoxyphosphanium

C32H61N9O13P3+ — CID 165163803

IUPAC[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-(hydroxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-dimethoxyphosphanium
SMILESCO[P+](N=C1N(C)CCN1C)(OC)OC1CCOC1COP(=O)(N=C1N(C)CCN1C)OC1CCOC1COP(=O)(N=C1N(C)CCN1C)OC1CCOC1CO
InChIInChI=1S/C32H61N9O13P3/c1-36-12-13-37(2)30(36)33-55(43,52-24-9-18-47-27(24)21-42)50-22-28-25(10-19-48-28)53-56(44,34-31-38(3)14-15-39(31)4)51-23-29-26(11-20-49-29)54-57(45-7,46-8)35-32-40(5)16-17-41(32)6/h24-29,42H,9-23H2,1-8H3/q+1
InChIKeyVHTRFMKGTSZMGX-UHFFFAOYSA-N
MW872.81 g/mol
LogP1.42
Rot. Bonds18

About [(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-(hydroxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-dimethoxyphosphanium

[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-(hydroxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-dimethoxyphosphanium (PubChem CID 165163803) has the molecular formula C32H61N9O13P3+ and a molecular weight of 872.81 g/mol. Its IUPAC name is [(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-(hydroxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-dimethoxyphosphanium.

Molecular Properties

Compound Name[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-(hydroxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-dimethoxyphosphanium
PubChem CID165163803
Molecular FormulaC32H61N9O13P3+
Molecular Weight872.81 g/mol
Exact Mass872.36
IUPAC Name[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-(hydroxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-dimethoxyphosphanium
SMILESCO[P+](N=C1N(C)CCN1C)(OC)OC1CCOC1COP(=O)(N=C1N(C)CCN1C)OC1CCOC1COP(=O)(N=C1N(C)CCN1C)OC1CCOC1CO
InChIInChI=1S/C32H61N9O13P3/c1-36-12-13-37(2)30(36)33-55(43,52-24-9-18-47-27(24)21-42)50-22-28-25(10-19-48-28)53-56(44,34-31-38(3)14-15-39(31)4)51-23-29-26(11-20-49-29)54-57(45-7,46-8)35-32-40(5)16-17-41(32)6/h24-29,42H,9-23H2,1-8H3/q+1
InChIKeyVHTRFMKGTSZMGX-UHFFFAOYSA-N
XLogP1.42
TPSA203.19 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.81
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-(hydroxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-dimethoxyphosphanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-(hydroxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-dimethoxyphosphanium?
The IUPAC name of [(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-(hydroxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-dimethoxyphosphanium (CID 165163803) is [(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-(hydroxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-dimethoxyphosphanium.
What is the SMILES notation for [(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-(hydroxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-dimethoxyphosphanium?
The canonical SMILES for [(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-(hydroxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-dimethoxyphosphanium is CO[P+](N=C1N(C)CCN1C)(OC)OC1CCOC1COP(=O)(N=C1N(C)CCN1C)OC1CCOC1COP(=O)(N=C1N(C)CCN1C)OC1CCOC1CO.
What is the InChIKey of [(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-(hydroxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-dimethoxyphosphanium?
The InChIKey is VHTRFMKGTSZMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H61N9O13P3/c1-36-12-13-37(2)30(36)33-55(43,52-24-9-18-47-27(24)21-42)50-22-28-25(10-19-48-28)53-56(44,34-31-38(3)14-15-39(31)4)51-23-29-26(11-20-49-29)54-57(45-7,46-8)35-32-40(5)16-17-41(32)6/h24-29,42H,9-23H2,1-8H3/q+1.
What are the key properties of [(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-(hydroxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-dimethoxyphosphanium?
[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-(hydroxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-dimethoxyphosphanium has a molecular weight of 872.81 g/mol, XLogP of 1.42, 18 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-(hydroxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-dimethoxyphosphanium is sourced from PubChem (CID 165163803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).