(2S,3S)-3-[dimethyl(phenyl)silyl]-4-diphenylphosphorylbutan-2-ol

C24H29O2PSi — CID 102599598

IUPAC(2S,3S)-3-[dimethyl(phenyl)silyl]-4-diphenylphosphorylbutan-2-ol
SMILESC[C@H](O)[C@@H](CP(=O)(c1ccccc1)c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H29O2PSi/c1-20(25)24(28(2,3)23-17-11-6-12-18-23)19-27(26,21-13-7-4-8-14-21)22-15-9-5-10-16-22/h4-18,20,24-25H,19H2,1-3H3/t20-,24+/m0/s1
InChIKeyFVIKABPDYJGTHR-GBXCKJPGSA-N
MW408.55 g/mol
LogP4.37
Rot. Bonds7

About (2S,3S)-3-[dimethyl(phenyl)silyl]-4-diphenylphosphorylbutan-2-ol

(2S,3S)-3-[dimethyl(phenyl)silyl]-4-diphenylphosphorylbutan-2-ol (PubChem CID 102599598) has the molecular formula C24H29O2PSi and a molecular weight of 408.55 g/mol. Its IUPAC name is (2S,3S)-3-[dimethyl(phenyl)silyl]-4-diphenylphosphorylbutan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-[dimethyl(phenyl)silyl]-4-diphenylphosphorylbutan-2-ol
PubChem CID102599598
Molecular FormulaC24H29O2PSi
Molecular Weight408.55 g/mol
Exact Mass408.17
IUPAC Name(2S,3S)-3-[dimethyl(phenyl)silyl]-4-diphenylphosphorylbutan-2-ol
SMILESC[C@H](O)[C@@H](CP(=O)(c1ccccc1)c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H29O2PSi/c1-20(25)24(28(2,3)23-17-11-6-12-18-23)19-27(26,21-13-7-4-8-14-21)22-15-9-5-10-16-22/h4-18,20,24-25H,19H2,1-3H3/t20-,24+/m0/s1
InChIKeyFVIKABPDYJGTHR-GBXCKJPGSA-N
XLogP4.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-4-diphenylphosphoryl-3-phenylsulfanylbutan-2-ol
CID 10091303
4-diphenylphosphoryl-3-methylbutan-2-one
CID 13202522
1-diphenylphosphoryl-4-methylpentan-3-ol
CID 11312690
[(3R)-4-diphenylphosphoryl-2,3-dimethylbutan-2-yl]oxy-trimethylsilane
CID 45073674
(2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol
CID 10522910
1,4,4-tris[dimethyl(phenyl)silyl]butan-1-ol
CID 10766972
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-diphenylphosphoryl-1-phenylpropan-2-ol
CID 24813675
[(2S,3R)-1-diphenylphosphoryl-2-trimethylsilyloxyheptan-3-yl]oxy-trimethylsilane
CID 10695952
2-methylpropyl(phenyl)phosphinic acid
CID 793404
(E)-5-diphenylphosphoryl-3-methylpent-3-en-2-ol
CID 14928752
2-diphenylphosphorylethyl-hydroxy-diphenylphosphanium
CID 139127496
(2R,3R)-2-[(S)-[dimethyl(phenyl)silyl]-phenylmethyl]-3-hydroxybutanoic acid
CID 99773408

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[dimethyl(phenyl)silyl]-4-diphenylphosphorylbutan-2-ol?
The IUPAC name of (2S,3S)-3-[dimethyl(phenyl)silyl]-4-diphenylphosphorylbutan-2-ol (CID 102599598) is (2S,3S)-3-[dimethyl(phenyl)silyl]-4-diphenylphosphorylbutan-2-ol.
What is the SMILES notation for (2S,3S)-3-[dimethyl(phenyl)silyl]-4-diphenylphosphorylbutan-2-ol?
The canonical SMILES for (2S,3S)-3-[dimethyl(phenyl)silyl]-4-diphenylphosphorylbutan-2-ol is C[C@H](O)[C@@H](CP(=O)(c1ccccc1)c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of (2S,3S)-3-[dimethyl(phenyl)silyl]-4-diphenylphosphorylbutan-2-ol?
The InChIKey is FVIKABPDYJGTHR-GBXCKJPGSA-N. The full InChI is InChI=1S/C24H29O2PSi/c1-20(25)24(28(2,3)23-17-11-6-12-18-23)19-27(26,21-13-7-4-8-14-21)22-15-9-5-10-16-22/h4-18,20,24-25H,19H2,1-3H3/t20-,24+/m0/s1.
What are the key properties of (2S,3S)-3-[dimethyl(phenyl)silyl]-4-diphenylphosphorylbutan-2-ol?
(2S,3S)-3-[dimethyl(phenyl)silyl]-4-diphenylphosphorylbutan-2-ol has a molecular weight of 408.55 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[dimethyl(phenyl)silyl]-4-diphenylphosphorylbutan-2-ol is sourced from PubChem (CID 102599598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).