[(2S,3S,5S,6R)-2-oxo-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinan-2-yl]-[4-(trifluoromethyl)phenyl]methanol

C29H25F3NO3P — CID 11598890

IUPAC[(2S,3S,5S,6R)-2-oxo-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinan-2-yl]-[4-(trifluoromethyl)phenyl]methanol
SMILESO=[P@]1(C(O)c2ccc(C(F)(F)F)cc2)O[C@H](c2ccccc2)[C@H](c2ccccc2)N[C@@H]1c1ccccc1
InChIInChI=1S/C29H25F3NO3P/c30-29(31,32)24-18-16-23(17-19-24)28(34)37(35)27(22-14-8-3-9-15-22)33-25(20-10-4-1-5-11-20)26(36-37)21-12-6-2-7-13-21/h1-19,25-28,33-34H/t25-,26+,27-,28?,37-/m0/s1
InChIKeyLDRMMEBPZHMXAR-JOZASZDTSA-N
MW523.49 g/mol
LogP7.78
Rot. Bonds5

About [(2S,3S,5S,6R)-2-oxo-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinan-2-yl]-[4-(trifluoromethyl)phenyl]methanol

[(2S,3S,5S,6R)-2-oxo-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinan-2-yl]-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 11598890) has the molecular formula C29H25F3NO3P and a molecular weight of 523.49 g/mol. Its IUPAC name is [(2S,3S,5S,6R)-2-oxo-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinan-2-yl]-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[(2S,3S,5S,6R)-2-oxo-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinan-2-yl]-[4-(trifluoromethyl)phenyl]methanol
PubChem CID11598890
Molecular FormulaC29H25F3NO3P
Molecular Weight523.49 g/mol
Exact Mass523.15
IUPAC Name[(2S,3S,5S,6R)-2-oxo-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinan-2-yl]-[4-(trifluoromethyl)phenyl]methanol
SMILESO=[P@]1(C(O)c2ccc(C(F)(F)F)cc2)O[C@H](c2ccccc2)[C@H](c2ccccc2)N[C@@H]1c1ccccc1
InChIInChI=1S/C29H25F3NO3P/c30-29(31,32)24-18-16-23(17-19-24)28(34)37(35)27(22-14-8-3-9-15-22)33-25(20-10-4-1-5-11-20)26(36-37)21-12-6-2-7-13-21/h1-19,25-28,33-34H/t25-,26+,27-,28?,37-/m0/s1
InChIKeyLDRMMEBPZHMXAR-JOZASZDTSA-N
XLogP7.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.49
LogP ≤ 57.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2S,3S,5S,6R)-2-oxo-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinan-2-yl]-[4-(trifluoromethyl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,5S,6R)-2-oxo-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinan-2-yl]-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [(2S,3S,5S,6R)-2-oxo-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinan-2-yl]-[4-(trifluoromethyl)phenyl]methanol (CID 11598890) is [(2S,3S,5S,6R)-2-oxo-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinan-2-yl]-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [(2S,3S,5S,6R)-2-oxo-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinan-2-yl]-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [(2S,3S,5S,6R)-2-oxo-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinan-2-yl]-[4-(trifluoromethyl)phenyl]methanol is O=[P@]1(C(O)c2ccc(C(F)(F)F)cc2)O[C@H](c2ccccc2)[C@H](c2ccccc2)N[C@@H]1c1ccccc1.
What is the InChIKey of [(2S,3S,5S,6R)-2-oxo-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinan-2-yl]-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is LDRMMEBPZHMXAR-JOZASZDTSA-N. The full InChI is InChI=1S/C29H25F3NO3P/c30-29(31,32)24-18-16-23(17-19-24)28(34)37(35)27(22-14-8-3-9-15-22)33-25(20-10-4-1-5-11-20)26(36-37)21-12-6-2-7-13-21/h1-19,25-28,33-34H/t25-,26+,27-,28?,37-/m0/s1.
What are the key properties of [(2S,3S,5S,6R)-2-oxo-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinan-2-yl]-[4-(trifluoromethyl)phenyl]methanol?
[(2S,3S,5S,6R)-2-oxo-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinan-2-yl]-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 523.49 g/mol, XLogP of 7.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,5S,6R)-2-oxo-3,5,6-triphenyl-1,4,2λ5-oxazaphosphinan-2-yl]-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 11598890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).