triphenyl-[3-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]phosphanium

C55H56O6P+ — CID 101007759

About triphenyl-[3-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]phosphanium

triphenyl-[3-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]phosphanium (PubChem CID 101007759) has the molecular formula C55H56O6P+ and a molecular weight of 844.02 g/mol. Its IUPAC name is triphenyl-[3-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]phosphanium.

Molecular Properties

• Compound Name: triphenyl-[3-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]phosphanium
• PubChem CID: 101007759
• Molecular Formula: C55H56O6P+
• Molecular Weight: 844.02 g/mol
• Exact Mass: 843.38
• IUPAC Name: triphenyl-[3-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]phosphanium
• SMILES: c1ccc(COC[C@H]2O[C@@H](OCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
• InChI: InChI=1S/C55H56O6P/c1-8-23-44(24-9-1)39-56-43-51-52(58-40-45-25-10-2-11-26-45)53(59-41-46-27-12-3-13-28-46)54(60-42-47-29-14-4-15-30-47)55(61-51)57-37-22-38-62(48-31-16-5-17-32-48,49-33-18-6-19-34-49)50-35-20-7-21-36-50/h1-21,23-36,51-55H,22,37-43H2/q+1/t51-,52-,53+,54-,55-/m1/s1
• InChIKey: OAAPQCAQCJDOGD-CGUSVCNXSA-N
• XLogP: 10.09
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 21
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.02
LogP ≤ 5	10.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of triphenyl-[3-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]phosphanium?

The IUPAC name of triphenyl-[3-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]phosphanium (CID 101007759) is triphenyl-[3-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]phosphanium.

What is the SMILES notation for triphenyl-[3-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]phosphanium?

The canonical SMILES for triphenyl-[3-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]phosphanium is c1ccc(COC[C@H]2O[C@@H](OCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1.

What is the InChIKey of triphenyl-[3-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]phosphanium?

The InChIKey is OAAPQCAQCJDOGD-CGUSVCNXSA-N. The full InChI is InChI=1S/C55H56O6P/c1-8-23-44(24-9-1)39-56-43-51-52(58-40-45-25-10-2-11-26-45)53(59-41-46-27-12-3-13-28-46)54(60-42-47-29-14-4-15-30-47)55(61-51)57-37-22-38-62(48-31-16-5-17-32-48,49-33-18-6-19-34-49)50-35-20-7-21-36-50/h1-21,23-36,51-55H,22,37-43H2/q+1/t51-,52-,53+,54-,55-/m1/s1.

What are the key properties of triphenyl-[3-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]phosphanium?

triphenyl-[3-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]phosphanium has a molecular weight of 844.02 g/mol, XLogP of 10.09, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[3-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]phosphanium is sourced from PubChem (CID 101007759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).