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

C21H20NO2P — CID 134847235

IUPAC(2S,3S,5S,6R)-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinane 2-oxide
SMILESO=[P@H]1O[C@H](c2ccccc2)[C@H](c2ccccc2)N[C@@H]1c1ccccc1
InChIInChI=1S/C21H20NO2P/c23-25-21(18-14-8-3-9-15-18)22-19(16-10-4-1-5-11-16)20(24-25)17-12-6-2-7-13-17/h1-15,19-22,25H/t19-,20+,21-/m0/s1
InChIKeyQVWNIYUBBWIJQG-HBMCJLEFSA-N
MW349.37 g/mol
LogP5.26
Rot. Bonds3

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

(2S,3S,5S,6R)-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinane 2-oxide (PubChem CID 134847235) has the molecular formula C21H20NO2P and a molecular weight of 349.37 g/mol. Its IUPAC name is (2S,3S,5S,6R)-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinane 2-oxide.

Molecular Properties

Compound Name(2S,3S,5S,6R)-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinane 2-oxide
PubChem CID134847235
Molecular FormulaC21H20NO2P
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name(2S,3S,5S,6R)-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinane 2-oxide
SMILESO=[P@H]1O[C@H](c2ccccc2)[C@H](c2ccccc2)N[C@@H]1c1ccccc1
InChIInChI=1S/C21H20NO2P/c23-25-21(18-14-8-3-9-15-18)22-19(16-10-4-1-5-11-16)20(24-25)17-12-6-2-7-13-17/h1-15,19-22,25H/t19-,20+,21-/m0/s1
InChIKeyQVWNIYUBBWIJQG-HBMCJLEFSA-N
XLogP5.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.37
LogP ≤ 55.26
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-1,4,2λ5-oxazaphosphinane 2-oxide?
The IUPAC name of (2S,3S,5S,6R)-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinane 2-oxide (CID 134847235) is (2S,3S,5S,6R)-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinane 2-oxide.
What is the SMILES notation for (2S,3S,5S,6R)-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinane 2-oxide?
The canonical SMILES for (2S,3S,5S,6R)-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinane 2-oxide is O=[P@H]1O[C@H](c2ccccc2)[C@H](c2ccccc2)N[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3S,5S,6R)-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinane 2-oxide?
The InChIKey is QVWNIYUBBWIJQG-HBMCJLEFSA-N. The full InChI is InChI=1S/C21H20NO2P/c23-25-21(18-14-8-3-9-15-18)22-19(16-10-4-1-5-11-16)20(24-25)17-12-6-2-7-13-17/h1-15,19-22,25H/t19-,20+,21-/m0/s1.
What are the key properties of (2S,3S,5S,6R)-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinane 2-oxide?
(2S,3S,5S,6R)-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinane 2-oxide has a molecular weight of 349.37 g/mol, XLogP of 5.26, 3 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-1,4,2λ5-oxazaphosphinane 2-oxide is sourced from PubChem (CID 134847235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).