[(1S,2S)-4-diphenylphosphoryl-2-hydroxy-5-oxo-1,5-diphenylpentyl] benzoate

C36H31O5P — CID 10531195

IUPAC[(1S,2S)-4-diphenylphosphoryl-2-hydroxy-5-oxo-1,5-diphenylpentyl] benzoate
SMILESO=C(O[C@@H](c1ccccc1)[C@@H](O)CC(C(=O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C36H31O5P/c37-32(35(28-18-8-2-9-19-28)41-36(39)29-20-10-3-11-21-29)26-33(34(38)27-16-6-1-7-17-27)42(40,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-25,32-33,35,37H,26H2/t32-,33?,35-/m0/s1
InChIKeyXSSFTVBHXVXKQH-OFWCELHQSA-N
MW574.61 g/mol
LogP6.60
Rot. Bonds11

About [(1S,2S)-4-diphenylphosphoryl-2-hydroxy-5-oxo-1,5-diphenylpentyl] benzoate

[(1S,2S)-4-diphenylphosphoryl-2-hydroxy-5-oxo-1,5-diphenylpentyl] benzoate (PubChem CID 10531195) has the molecular formula C36H31O5P and a molecular weight of 574.61 g/mol. Its IUPAC name is [(1S,2S)-4-diphenylphosphoryl-2-hydroxy-5-oxo-1,5-diphenylpentyl] benzoate.

Molecular Properties

Compound Name[(1S,2S)-4-diphenylphosphoryl-2-hydroxy-5-oxo-1,5-diphenylpentyl] benzoate
PubChem CID10531195
Molecular FormulaC36H31O5P
Molecular Weight574.61 g/mol
Exact Mass574.19
IUPAC Name[(1S,2S)-4-diphenylphosphoryl-2-hydroxy-5-oxo-1,5-diphenylpentyl] benzoate
SMILESO=C(O[C@@H](c1ccccc1)[C@@H](O)CC(C(=O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C36H31O5P/c37-32(35(28-18-8-2-9-19-28)41-36(39)29-20-10-3-11-21-29)26-33(34(38)27-16-6-1-7-17-27)42(40,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-25,32-33,35,37H,26H2/t32-,33?,35-/m0/s1
InChIKeyXSSFTVBHXVXKQH-OFWCELHQSA-N
XLogP6.60
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.61
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(1S,2S)-4-diphenylphosphoryl-2-hydroxy-5-oxo-1,5-diphenylpentyl] benzoate with MolForge

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

Launch Full Analysis

Related Compounds

(3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate
CID 23126014
(2-cyano-2-hydroxy-1-phenylethyl) benzoate
CID 135043818
[(1S,2S)-2-diphenylphosphoryloxy-5-oxo-1,5-diphenylpentyl] benzoate
CID 11399001
[(1S,2R)-2-amino-1-phenylpropyl] benzoate
CID 99718446
(2-methyl-3-oxo-1-phenylpropyl) benzoate
CID 122223711
[hydroxy(phenyl)methyl] benzoate
CID 22715526
[(1R,2S)-2-(methylamino)-1-phenylpropyl] benzoate
CID 162818343
(2-oxo-1,2-diphenylethyl) 4-diethoxyphosphorylbenzoate
CID 101163343
(2S,3S)-2-diphenylphosphoryl-1,3-diphenylbutan-1-one
CID 102000616
[(2S,3R)-2-benzamido-3-benzoyloxy-3-phenylpropyl] benzoate
CID 7037553
[(2R,3S)-3-benzoyloxy-3-phenyl-2-phenylmethoxypropyl] benzoate
CID 14638453
[(1R)-3-methyl-1-phenylbutyl] benzoate
CID 15503412

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-4-diphenylphosphoryl-2-hydroxy-5-oxo-1,5-diphenylpentyl] benzoate?
The IUPAC name of [(1S,2S)-4-diphenylphosphoryl-2-hydroxy-5-oxo-1,5-diphenylpentyl] benzoate (CID 10531195) is [(1S,2S)-4-diphenylphosphoryl-2-hydroxy-5-oxo-1,5-diphenylpentyl] benzoate.
What is the SMILES notation for [(1S,2S)-4-diphenylphosphoryl-2-hydroxy-5-oxo-1,5-diphenylpentyl] benzoate?
The canonical SMILES for [(1S,2S)-4-diphenylphosphoryl-2-hydroxy-5-oxo-1,5-diphenylpentyl] benzoate is O=C(O[C@@H](c1ccccc1)[C@@H](O)CC(C(=O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S,2S)-4-diphenylphosphoryl-2-hydroxy-5-oxo-1,5-diphenylpentyl] benzoate?
The InChIKey is XSSFTVBHXVXKQH-OFWCELHQSA-N. The full InChI is InChI=1S/C36H31O5P/c37-32(35(28-18-8-2-9-19-28)41-36(39)29-20-10-3-11-21-29)26-33(34(38)27-16-6-1-7-17-27)42(40,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-25,32-33,35,37H,26H2/t32-,33?,35-/m0/s1.
What are the key properties of [(1S,2S)-4-diphenylphosphoryl-2-hydroxy-5-oxo-1,5-diphenylpentyl] benzoate?
[(1S,2S)-4-diphenylphosphoryl-2-hydroxy-5-oxo-1,5-diphenylpentyl] benzoate has a molecular weight of 574.61 g/mol, XLogP of 6.60, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-4-diphenylphosphoryl-2-hydroxy-5-oxo-1,5-diphenylpentyl] benzoate is sourced from PubChem (CID 10531195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).