(2S,3S,5S,6R)-3,5,6-triphenyl-2-[(E)-2-phenylethenyl]-1,4,2λ5-oxazaphosphinane 2-oxide

C29H26NO2P — CID 134934926

IUPAC(2S,3S,5S,6R)-3,5,6-triphenyl-2-[(E)-2-phenylethenyl]-1,4,2λ5-oxazaphosphinane 2-oxide
SMILESO=[P@@]1(/C=C/c2ccccc2)O[C@H](c2ccccc2)[C@H](c2ccccc2)N[C@@H]1c1ccccc1
InChIInChI=1S/C29H26NO2P/c31-33(22-21-23-13-5-1-6-14-23)29(26-19-11-4-12-20-26)30-27(24-15-7-2-8-16-24)28(32-33)25-17-9-3-10-18-25/h1-22,27-30H/b22-21+/t27-,28+,29-,33-/m0/s1
InChIKeyWFHPYAXYZSNTOK-QSRQRVBDSA-N
MW451.51 g/mol
LogP7.74
Rot. Bonds5

About (2S,3S,5S,6R)-3,5,6-triphenyl-2-[(E)-2-phenylethenyl]-1,4,2λ5-oxazaphosphinane 2-oxide

(2S,3S,5S,6R)-3,5,6-triphenyl-2-[(E)-2-phenylethenyl]-1,4,2λ5-oxazaphosphinane 2-oxide (PubChem CID 134934926) has the molecular formula C29H26NO2P and a molecular weight of 451.51 g/mol. Its IUPAC name is (2S,3S,5S,6R)-3,5,6-triphenyl-2-[(E)-2-phenylethenyl]-1,4,2λ5-oxazaphosphinane 2-oxide.

Molecular Properties

Compound Name(2S,3S,5S,6R)-3,5,6-triphenyl-2-[(E)-2-phenylethenyl]-1,4,2λ5-oxazaphosphinane 2-oxide
PubChem CID134934926
Molecular FormulaC29H26NO2P
Molecular Weight451.51 g/mol
Exact Mass451.17
IUPAC Name(2S,3S,5S,6R)-3,5,6-triphenyl-2-[(E)-2-phenylethenyl]-1,4,2λ5-oxazaphosphinane 2-oxide
SMILESO=[P@@]1(/C=C/c2ccccc2)O[C@H](c2ccccc2)[C@H](c2ccccc2)N[C@@H]1c1ccccc1
InChIInChI=1S/C29H26NO2P/c31-33(22-21-23-13-5-1-6-14-23)29(26-19-11-4-12-20-26)30-27(24-15-7-2-8-16-24)28(32-33)25-17-9-3-10-18-25/h1-22,27-30H/b22-21+/t27-,28+,29-,33-/m0/s1
InChIKeyWFHPYAXYZSNTOK-QSRQRVBDSA-N
XLogP7.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.51
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S,6R)-3,5,6-triphenyl-2-[(E)-2-phenylethenyl]-1,4,2λ5-oxazaphosphinane 2-oxide?
The IUPAC name of (2S,3S,5S,6R)-3,5,6-triphenyl-2-[(E)-2-phenylethenyl]-1,4,2λ5-oxazaphosphinane 2-oxide (CID 134934926) is (2S,3S,5S,6R)-3,5,6-triphenyl-2-[(E)-2-phenylethenyl]-1,4,2λ5-oxazaphosphinane 2-oxide.
What is the SMILES notation for (2S,3S,5S,6R)-3,5,6-triphenyl-2-[(E)-2-phenylethenyl]-1,4,2λ5-oxazaphosphinane 2-oxide?
The canonical SMILES for (2S,3S,5S,6R)-3,5,6-triphenyl-2-[(E)-2-phenylethenyl]-1,4,2λ5-oxazaphosphinane 2-oxide is O=[P@@]1(/C=C/c2ccccc2)O[C@H](c2ccccc2)[C@H](c2ccccc2)N[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3S,5S,6R)-3,5,6-triphenyl-2-[(E)-2-phenylethenyl]-1,4,2λ5-oxazaphosphinane 2-oxide?
The InChIKey is WFHPYAXYZSNTOK-QSRQRVBDSA-N. The full InChI is InChI=1S/C29H26NO2P/c31-33(22-21-23-13-5-1-6-14-23)29(26-19-11-4-12-20-26)30-27(24-15-7-2-8-16-24)28(32-33)25-17-9-3-10-18-25/h1-22,27-30H/b22-21+/t27-,28+,29-,33-/m0/s1.
What are the key properties of (2S,3S,5S,6R)-3,5,6-triphenyl-2-[(E)-2-phenylethenyl]-1,4,2λ5-oxazaphosphinane 2-oxide?
(2S,3S,5S,6R)-3,5,6-triphenyl-2-[(E)-2-phenylethenyl]-1,4,2λ5-oxazaphosphinane 2-oxide has a molecular weight of 451.51 g/mol, XLogP of 7.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S,6R)-3,5,6-triphenyl-2-[(E)-2-phenylethenyl]-1,4,2λ5-oxazaphosphinane 2-oxide is sourced from PubChem (CID 134934926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).