(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-phenylmethoxypentanenitrile

C28H33NO4Si — CID 177474808

IUPAC(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-phenylmethoxypentanenitrile
SMILESCC(C)(C)[Si](O[C@@H](C#N)C(O)[C@H](O)COCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33NO4Si/c1-28(2,3)34(23-15-9-5-10-16-23,24-17-11-6-12-18-24)33-26(19-29)27(31)25(30)21-32-20-22-13-7-4-8-14-22/h4-18,25-27,30-31H,20-21H2,1-3H3/t25-,26+,27?/m1/s1
InChIKeyDYERISHGKGETKW-JZGSEIKYSA-N
MW475.66 g/mol
LogP3.39
Rot. Bonds10

About (2S,4R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-phenylmethoxypentanenitrile

(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-phenylmethoxypentanenitrile (PubChem CID 177474808) has the molecular formula C28H33NO4Si and a molecular weight of 475.66 g/mol. Its IUPAC name is (2S,4R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-phenylmethoxypentanenitrile.

Molecular Properties

Compound Name(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-phenylmethoxypentanenitrile
PubChem CID177474808
Molecular FormulaC28H33NO4Si
Molecular Weight475.66 g/mol
Exact Mass475.22
IUPAC Name(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-phenylmethoxypentanenitrile
SMILESCC(C)(C)[Si](O[C@@H](C#N)C(O)[C@H](O)COCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33NO4Si/c1-28(2,3)34(23-15-9-5-10-16-23,24-17-11-6-12-18-24)33-26(19-29)27(31)25(30)21-32-20-22-13-7-4-8-14-22/h4-18,25-27,30-31H,20-21H2,1-3H3/t25-,26+,27?/m1/s1
InChIKeyDYERISHGKGETKW-JZGSEIKYSA-N
XLogP3.39
TPSA82.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.66
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol
CID 140879334
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
(1R,2R,3R)-1-[dimethyl(phenyl)silyl]-4-phenylmethoxybutane-1,2,3-triol
CID 134901122
1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
CID 11762130
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile
CID 18653746
(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,3S,4R,5S,6S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyl-3,5,7-tris(phenylmethoxy)heptan-2-ol
CID 11542185
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal
CID 11201317
tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane
CID 134872566
(2S,3R)-3-chloro-4,4-dimethyl-1-phenylmethoxypentan-2-ol
CID 134934585
methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate
CID 11742789

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-phenylmethoxypentanenitrile?
The IUPAC name of (2S,4R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-phenylmethoxypentanenitrile (CID 177474808) is (2S,4R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-phenylmethoxypentanenitrile.
What is the SMILES notation for (2S,4R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-phenylmethoxypentanenitrile?
The canonical SMILES for (2S,4R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-phenylmethoxypentanenitrile is CC(C)(C)[Si](O[C@@H](C#N)C(O)[C@H](O)COCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,4R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-phenylmethoxypentanenitrile?
The InChIKey is DYERISHGKGETKW-JZGSEIKYSA-N. The full InChI is InChI=1S/C28H33NO4Si/c1-28(2,3)34(23-15-9-5-10-16-23,24-17-11-6-12-18-24)33-26(19-29)27(31)25(30)21-32-20-22-13-7-4-8-14-22/h4-18,25-27,30-31H,20-21H2,1-3H3/t25-,26+,27?/m1/s1.
What are the key properties of (2S,4R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-phenylmethoxypentanenitrile?
(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-phenylmethoxypentanenitrile has a molecular weight of 475.66 g/mol, XLogP of 3.39, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-phenylmethoxypentanenitrile is sourced from PubChem (CID 177474808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).