(2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol

C22H23O3P — CID 10522910

IUPAC(2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol
SMILESC[C@@](O)(c1ccccc1)[C@H](O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23O3P/c1-22(24,18-11-5-2-6-12-18)21(23)17-26(25,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,23-24H,17H2,1H3/t21-,22-/m1/s1
InChIKeyJEEKBBLZKPJXCI-FGZHOGPDSA-N
MW366.40 g/mol
LogP3.27
Rot. Bonds6

About (2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol

(2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol (PubChem CID 10522910) has the molecular formula C22H23O3P and a molecular weight of 366.40 g/mol. Its IUPAC name is (2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol.

Molecular Properties

Compound Name(2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol
PubChem CID10522910
Molecular FormulaC22H23O3P
Molecular Weight366.40 g/mol
Exact Mass366.14
IUPAC Name(2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol
SMILESC[C@@](O)(c1ccccc1)[C@H](O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23O3P/c1-22(24,18-11-5-2-6-12-18)21(23)17-26(25,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,23-24H,17H2,1H3/t21-,22-/m1/s1
InChIKeyJEEKBBLZKPJXCI-FGZHOGPDSA-N
XLogP3.27
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-diphenylphosphoryl-1-phenylethanol
CID 155934602
3-methyl-2-phenylpentan-2-ol
CID 13024634
4-diphenylphosphoryl-3-methylbutan-2-one
CID 13202522
(2S,3S)-4-diphenylphosphoryl-3-phenylsulfanylbutan-2-ol
CID 10091303
(2S)-1-[tert-butyl(phenyl)phosphoryl]propan-2-ol
CID 102355280
[(2S,3R)-4-diphenylphosphoryl-2,3-dihydroxy-3-methylbutyl] methanesulfonate
CID 10046409
(E,2R,3R)-2-phenylhex-4-ene-2,3-diol
CID 102188552
1-diphenylphosphoryl-3,3-dimethylbutan-2-one
CID 2752007
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-diphenylphosphoryl-1-phenylpropan-2-ol
CID 24813675
(2R,3R)-1-diphenylphosphoryl-4-(4-hydroxyphenyl)sulfanyl-2-methylbutane-2,3-diol
CID 10342529
[(3R)-4-diphenylphosphoryl-2,3-dimethylbutan-2-yl]oxy-trimethylsilane
CID 45073674
(2S,3S)-3-[dimethyl(phenyl)silyl]-4-diphenylphosphorylbutan-2-ol
CID 102599598

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol?
The IUPAC name of (2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol (CID 10522910) is (2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol.
What is the SMILES notation for (2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol?
The canonical SMILES for (2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol is C[C@@](O)(c1ccccc1)[C@H](O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol?
The InChIKey is JEEKBBLZKPJXCI-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H23O3P/c1-22(24,18-11-5-2-6-12-18)21(23)17-26(25,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,23-24H,17H2,1H3/t21-,22-/m1/s1.
What are the key properties of (2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol?
(2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol has a molecular weight of 366.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol is sourced from PubChem (CID 10522910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).