[(1R,2S)-2-[[(3aS,8aS)-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-ium-6-yl]oxy]-3-methoxy-1-phenylpropyl]-diphenylphosphanium;carbanide;rhodium(3+)

C55H58O6P2Rh+3 — CID 134843227

About [(1R,2S)-2-[[(3aS,8aS)-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-ium-6-yl]oxy]-3-methoxy-1-phenylpropyl]-diphenylphosphanium;carbanide;rhodium(3+)

[(1R,2S)-2-[[(3aS,8aS)-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-ium-6-yl]oxy]-3-methoxy-1-phenylpropyl]-diphenylphosphanium;carbanide;rhodium(3+) (PubChem CID 134843227) has the molecular formula C55H58O6P2Rh+3 and a molecular weight of 979.92 g/mol. Its IUPAC name is [(1R,2S)-2-[[(3aS,8aS)-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-ium-6-yl]oxy]-3-methoxy-1-phenylpropyl]-diphenylphosphanium;carbanide;rhodium(3+).

Molecular Properties

• Compound Name: [(1R,2S)-2-[[(3aS,8aS)-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-ium-6-yl]oxy]-3-methoxy-1-phenylpropyl]-diphenylphosphanium;carbanide;rhodium(3+)
• PubChem CID: 134843227
• Molecular Formula: C55H58O6P2Rh+3
• Molecular Weight: 979.92 g/mol
• Exact Mass: 979.27
• IUPAC Name: [(1R,2S)-2-[[(3aS,8aS)-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-ium-6-yl]oxy]-3-methoxy-1-phenylpropyl]-diphenylphosphanium;carbanide;rhodium(3+)
• SMILES: COC[C@H](O[PH+]1OC(c2ccccc2)(c2ccccc2)[C@H]2OC(C)(C)O[C@@H]2C(c2ccccc2)(c2ccccc2)O1)[C@@H](c1ccccc1)[PH+](c1ccccc1)c1ccccc1.[CH3-].[CH3-].[Rh+3]
• InChI: InChI=1S/C53H51O6P2.2CH3.Rh/c1-51(2)55-49-50(56-51)53(43-31-17-7-18-32-43,44-33-19-8-20-34-44)59-61(58-52(49,41-27-13-5-14-28-41)42-29-15-6-16-30-42)57-47(39-54-3)48(40-25-11-4-12-26-40)60(45-35-21-9-22-36-45)46-37-23-10-24-38-46;;;/h4-38,47-50,61H,39H2,1-3H3;2*1H3;/q+1;2*-1;+3/p+1/t47-,48+,49-,50-;;;/m0.../s1
• InChIKey: YTFIKLBKHNIRIK-VIEXTSQYSA-O
• XLogP: 11.94
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	979.92
LogP ≤ 5	11.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 [(1R,2S)-2-[[(3aS,8aS)-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-ium-6-yl]oxy]-3-methoxy-1-phenylpropyl]-diphenylphosphanium;carbanide;rhodium(3+)?

The IUPAC name of [(1R,2S)-2-[[(3aS,8aS)-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-ium-6-yl]oxy]-3-methoxy-1-phenylpropyl]-diphenylphosphanium;carbanide;rhodium(3+) (CID 134843227) is [(1R,2S)-2-[[(3aS,8aS)-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-ium-6-yl]oxy]-3-methoxy-1-phenylpropyl]-diphenylphosphanium;carbanide;rhodium(3+).

What is the SMILES notation for [(1R,2S)-2-[[(3aS,8aS)-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-ium-6-yl]oxy]-3-methoxy-1-phenylpropyl]-diphenylphosphanium;carbanide;rhodium(3+)?

The canonical SMILES for [(1R,2S)-2-[[(3aS,8aS)-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-ium-6-yl]oxy]-3-methoxy-1-phenylpropyl]-diphenylphosphanium;carbanide;rhodium(3+) is COC[C@H](O[PH+]1OC(c2ccccc2)(c2ccccc2)[C@H]2OC(C)(C)O[C@@H]2C(c2ccccc2)(c2ccccc2)O1)[C@@H](c1ccccc1)[PH+](c1ccccc1)c1ccccc1.[CH3-].[CH3-].[Rh+3].

What is the InChIKey of [(1R,2S)-2-[[(3aS,8aS)-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-ium-6-yl]oxy]-3-methoxy-1-phenylpropyl]-diphenylphosphanium;carbanide;rhodium(3+)?

The InChIKey is YTFIKLBKHNIRIK-VIEXTSQYSA-O. The full InChI is InChI=1S/C53H51O6P2.2CH3.Rh/c1-51(2)55-49-50(56-51)53(43-31-17-7-18-32-43,44-33-19-8-20-34-44)59-61(58-52(49,41-27-13-5-14-28-41)42-29-15-6-16-30-42)57-47(39-54-3)48(40-25-11-4-12-26-40)60(45-35-21-9-22-36-45)46-37-23-10-24-38-46;;;/h4-38,47-50,61H,39H2,1-3H3;2*1H3;/q+1;2*-1;+3/p+1/t47-,48+,49-,50-;;;/m0.../s1.

What are the key properties of [(1R,2S)-2-[[(3aS,8aS)-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-ium-6-yl]oxy]-3-methoxy-1-phenylpropyl]-diphenylphosphanium;carbanide;rhodium(3+)?

[(1R,2S)-2-[[(3aS,8aS)-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-ium-6-yl]oxy]-3-methoxy-1-phenylpropyl]-diphenylphosphanium;carbanide;rhodium(3+) has a molecular weight of 979.92 g/mol, XLogP of 11.94, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2S)-2-[[(3aS,8aS)-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-ium-6-yl]oxy]-3-methoxy-1-phenylpropyl]-diphenylphosphanium;carbanide;rhodium(3+) is sourced from PubChem (CID 134843227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).