(2S,3S)-4-diphenylphosphoryl-3-phenylsulfanylbutan-2-ol

C22H23O2PS — CID 10091303

IUPAC(2S,3S)-4-diphenylphosphoryl-3-phenylsulfanylbutan-2-ol
SMILESC[C@H](O)[C@@H](CP(=O)(c1ccccc1)c1ccccc1)Sc1ccccc1
InChIInChI=1S/C22H23O2PS/c1-18(23)22(26-21-15-9-4-10-16-21)17-25(24,19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,18,22-23H,17H2,1H3/t18-,22+/m0/s1
InChIKeyAMLQTGYJSBKQOH-PGRDOPGGSA-N
MW382.47 g/mol
LogP4.54
Rot. Bonds7

About (2S,3S)-4-diphenylphosphoryl-3-phenylsulfanylbutan-2-ol

(2S,3S)-4-diphenylphosphoryl-3-phenylsulfanylbutan-2-ol (PubChem CID 10091303) has the molecular formula C22H23O2PS and a molecular weight of 382.47 g/mol. Its IUPAC name is (2S,3S)-4-diphenylphosphoryl-3-phenylsulfanylbutan-2-ol.

Molecular Properties

Compound Name(2S,3S)-4-diphenylphosphoryl-3-phenylsulfanylbutan-2-ol
PubChem CID10091303
Molecular FormulaC22H23O2PS
Molecular Weight382.47 g/mol
Exact Mass382.12
IUPAC Name(2S,3S)-4-diphenylphosphoryl-3-phenylsulfanylbutan-2-ol
SMILESC[C@H](O)[C@@H](CP(=O)(c1ccccc1)c1ccccc1)Sc1ccccc1
InChIInChI=1S/C22H23O2PS/c1-18(23)22(26-21-15-9-4-10-16-21)17-25(24,19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,18,22-23H,17H2,1H3/t18-,22+/m0/s1
InChIKeyAMLQTGYJSBKQOH-PGRDOPGGSA-N
XLogP4.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-diphenylphosphoryl-3-methylbutan-2-one
CID 13202522
(2S,3S)-3-[dimethyl(phenyl)silyl]-4-diphenylphosphorylbutan-2-ol
CID 102599598
(2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol
CID 10522910
3-hydroxy-4-phenylsulfanylpentanoic acid
CID 142656937
1-diphenylphosphoryl-4-methylpentan-3-ol
CID 11312690
(2R,3S)-3-hydroxy-2-phenylsulfanylbutanal
CID 100919626
(2R,3R)-3-hydroxy-2-phenylsulfanylbutanal
CID 100919627
2-methylpropyl(phenyl)phosphinic acid
CID 793404
3-phenylsulfanylbutane-1,2,4-triol
CID 54001701
(E)-5-diphenylphosphoryl-3-methylpent-3-en-2-ol
CID 14928752
(2S,3R,4S)-2,6-dimethyl-4-phenylsulfanylheptane-1,3-diol
CID 101017386
(2S,3R)-2-hydroxy-3-phenylsulfanylheptanoic acid
CID 10682384

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-diphenylphosphoryl-3-phenylsulfanylbutan-2-ol?
The IUPAC name of (2S,3S)-4-diphenylphosphoryl-3-phenylsulfanylbutan-2-ol (CID 10091303) is (2S,3S)-4-diphenylphosphoryl-3-phenylsulfanylbutan-2-ol.
What is the SMILES notation for (2S,3S)-4-diphenylphosphoryl-3-phenylsulfanylbutan-2-ol?
The canonical SMILES for (2S,3S)-4-diphenylphosphoryl-3-phenylsulfanylbutan-2-ol is C[C@H](O)[C@@H](CP(=O)(c1ccccc1)c1ccccc1)Sc1ccccc1.
What is the InChIKey of (2S,3S)-4-diphenylphosphoryl-3-phenylsulfanylbutan-2-ol?
The InChIKey is AMLQTGYJSBKQOH-PGRDOPGGSA-N. The full InChI is InChI=1S/C22H23O2PS/c1-18(23)22(26-21-15-9-4-10-16-21)17-25(24,19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,18,22-23H,17H2,1H3/t18-,22+/m0/s1.
What are the key properties of (2S,3S)-4-diphenylphosphoryl-3-phenylsulfanylbutan-2-ol?
(2S,3S)-4-diphenylphosphoryl-3-phenylsulfanylbutan-2-ol has a molecular weight of 382.47 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-diphenylphosphoryl-3-phenylsulfanylbutan-2-ol is sourced from PubChem (CID 10091303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).