(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol

C27H33FO3Si — CID 140879334

IUPAC(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol
SMILESCC(C)(C)[Si](OC[C@H](O)[C@H](F)COCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33FO3Si/c1-27(2,3)32(23-15-9-5-10-16-23,24-17-11-6-12-18-24)31-21-26(29)25(28)20-30-19-22-13-7-4-8-14-22/h4-18,25-26,29H,19-21H2,1-3H3/t25-,26+/m1/s1
InChIKeyWNRQCXCJTKTDLN-FTJBHMTQSA-N
MW452.64 g/mol
LogP4.48
Rot. Bonds10

About (2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol

(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol (PubChem CID 140879334) has the molecular formula C27H33FO3Si and a molecular weight of 452.64 g/mol. Its IUPAC name is (2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol.

Molecular Properties

Compound Name(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol
PubChem CID140879334
Molecular FormulaC27H33FO3Si
Molecular Weight452.64 g/mol
Exact Mass452.22
IUPAC Name(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol
SMILESCC(C)(C)[Si](OC[C@H](O)[C@H](F)COCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33FO3Si/c1-27(2,3)32(23-15-9-5-10-16-23,24-17-11-6-12-18-24)31-21-26(29)25(28)20-30-19-22-13-7-4-8-14-22/h4-18,25-26,29H,19-21H2,1-3H3/t25-,26+/m1/s1
InChIKeyWNRQCXCJTKTDLN-FTJBHMTQSA-N
XLogP4.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.64
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol
CID 11784542
(2S,3S,4R,5S,6S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyl-3,5,7-tris(phenylmethoxy)heptan-2-ol
CID 11542185
1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
CID 11762130
(E,2S,6R,7R,8S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4,6,8-tetramethyl-9-phenylmethoxynon-4-ene-3,7-diol
CID 135008819
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal
CID 11201317
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
[(2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-formyloxy-2-(phenylmethoxymethyl)butyl] formate
CID 140825986
(2R,5R,6S)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-6-methyl-2-phenylmethoxyheptan-3-one
CID 102309188
(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-phenylmethoxypentanenitrile
CID 177474808
1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol
CID 18649513
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol?
The IUPAC name of (2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol (CID 140879334) is (2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol.
What is the SMILES notation for (2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol?
The canonical SMILES for (2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol is CC(C)(C)[Si](OC[C@H](O)[C@H](F)COCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol?
The InChIKey is WNRQCXCJTKTDLN-FTJBHMTQSA-N. The full InChI is InChI=1S/C27H33FO3Si/c1-27(2,3)32(23-15-9-5-10-16-23,24-17-11-6-12-18-24)31-21-26(29)25(28)20-30-19-22-13-7-4-8-14-22/h4-18,25-26,29H,19-21H2,1-3H3/t25-,26+/m1/s1.
What are the key properties of (2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol?
(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol has a molecular weight of 452.64 g/mol, XLogP of 4.48, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol is sourced from PubChem (CID 140879334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).