(2R,5S)-1,1,4,4-tetraphenyl-1,4-diphosphinane-1,4-diium-2,5-diol

C28H28O2P2+2 — CID 10973441

IUPAC(2R,5S)-1,1,4,4-tetraphenyl-1,4-diphosphinane-1,4-diium-2,5-diol
SMILESO[C@@H]1C[P+](c2ccccc2)(c2ccccc2)[C@@H](O)C[P+]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28O2P2/c29-27-22-32(25-17-9-3-10-18-25,26-19-11-4-12-20-26)28(30)21-31(27,23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-20,27-30H,21-22H2/q+2/t27-,28+
InChIKeyVIBRKCRGAGVUIB-HNRBIFIRSA-N
MW458.48 g/mol
LogP3.97
Rot. Bonds4

About (2R,5S)-1,1,4,4-tetraphenyl-1,4-diphosphinane-1,4-diium-2,5-diol

(2R,5S)-1,1,4,4-tetraphenyl-1,4-diphosphinane-1,4-diium-2,5-diol (PubChem CID 10973441) has the molecular formula C28H28O2P2+2 and a molecular weight of 458.48 g/mol. Its IUPAC name is (2R,5S)-1,1,4,4-tetraphenyl-1,4-diphosphinane-1,4-diium-2,5-diol.

Molecular Properties

Compound Name(2R,5S)-1,1,4,4-tetraphenyl-1,4-diphosphinane-1,4-diium-2,5-diol
PubChem CID10973441
Molecular FormulaC28H28O2P2+2
Molecular Weight458.48 g/mol
Exact Mass458.16
IUPAC Name(2R,5S)-1,1,4,4-tetraphenyl-1,4-diphosphinane-1,4-diium-2,5-diol
SMILESO[C@@H]1C[P+](c2ccccc2)(c2ccccc2)[C@@H](O)C[P+]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28O2P2/c29-27-22-32(25-17-9-3-10-18-25,26-19-11-4-12-20-26)28(30)21-31(27,23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-20,27-30H,21-22H2/q+2/t27-,28+
InChIKeyVIBRKCRGAGVUIB-HNRBIFIRSA-N
XLogP3.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-1,1,4,4-tetraphenyl-1,4-diphosphinane-1,4-diium-2,5-diol?
The IUPAC name of (2R,5S)-1,1,4,4-tetraphenyl-1,4-diphosphinane-1,4-diium-2,5-diol (CID 10973441) is (2R,5S)-1,1,4,4-tetraphenyl-1,4-diphosphinane-1,4-diium-2,5-diol.
What is the SMILES notation for (2R,5S)-1,1,4,4-tetraphenyl-1,4-diphosphinane-1,4-diium-2,5-diol?
The canonical SMILES for (2R,5S)-1,1,4,4-tetraphenyl-1,4-diphosphinane-1,4-diium-2,5-diol is O[C@@H]1C[P+](c2ccccc2)(c2ccccc2)[C@@H](O)C[P+]1(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,5S)-1,1,4,4-tetraphenyl-1,4-diphosphinane-1,4-diium-2,5-diol?
The InChIKey is VIBRKCRGAGVUIB-HNRBIFIRSA-N. The full InChI is InChI=1S/C28H28O2P2/c29-27-22-32(25-17-9-3-10-18-25,26-19-11-4-12-20-26)28(30)21-31(27,23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-20,27-30H,21-22H2/q+2/t27-,28+.
What are the key properties of (2R,5S)-1,1,4,4-tetraphenyl-1,4-diphosphinane-1,4-diium-2,5-diol?
(2R,5S)-1,1,4,4-tetraphenyl-1,4-diphosphinane-1,4-diium-2,5-diol has a molecular weight of 458.48 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-1,1,4,4-tetraphenyl-1,4-diphosphinane-1,4-diium-2,5-diol is sourced from PubChem (CID 10973441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).