(2R,3R,4R,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-3,4,5-triol

C26H39NO4Si — CID 22856139

IUPAC(2R,3R,4R,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-3,4,5-triol
SMILESCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H39NO4Si/c1-5-6-17-27-18-23(28)25(30)24(29)22(27)19-31-32(26(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22-25,28-30H,5-6,17-19H2,1-4H3/t22-,23+,24-,25-/m1/s1
InChIKeyZMYBMLIOHWZMCY-ZFFYZDHPSA-N
MW457.69 g/mol
LogP2.13
Rot. Bonds8

About (2R,3R,4R,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-3,4,5-triol

(2R,3R,4R,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-3,4,5-triol (PubChem CID 22856139) has the molecular formula C26H39NO4Si and a molecular weight of 457.69 g/mol. Its IUPAC name is (2R,3R,4R,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-3,4,5-triol
PubChem CID22856139
Molecular FormulaC26H39NO4Si
Molecular Weight457.69 g/mol
Exact Mass457.26
IUPAC Name(2R,3R,4R,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-3,4,5-triol
SMILESCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H39NO4Si/c1-5-6-17-27-18-23(28)25(30)24(29)22(27)19-31-32(26(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22-25,28-30H,5-6,17-19H2,1-4H3/t22-,23+,24-,25-/m1/s1
InChIKeyZMYBMLIOHWZMCY-ZFFYZDHPSA-N
XLogP2.13
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.69
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3aS,7R,7aS)-2,2,5-tributyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxastannolo[4,5-c]pyridin-7-ol
CID 173327189
(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol
CID 10692836
tert-butyl-[[3-cyclohexyl-1-(tributylstannylmethyl)aziridin-2-yl]methoxy]-diphenylsilane
CID 85111638
(3R,4R)-1-butyl-5-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,4-diol
CID 169438097
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol
CID 12766488
tert-butyl-[(4-octoxycyclohexyl)methoxy]-diphenylsilane
CID 163204350
(2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxyoxane-3,4-diol
CID 11683418
tert-butyl (2R,3S,4S,5S)-3-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxypiperidine-1-carboxylate
CID 11444843
4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol
CID 165343479
butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 175819406

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-3,4,5-triol (CID 22856139) is (2R,3R,4R,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-3,4,5-triol is CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R,3R,4R,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-3,4,5-triol?
The InChIKey is ZMYBMLIOHWZMCY-ZFFYZDHPSA-N. The full InChI is InChI=1S/C26H39NO4Si/c1-5-6-17-27-18-23(28)25(30)24(29)22(27)19-31-32(26(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22-25,28-30H,5-6,17-19H2,1-4H3/t22-,23+,24-,25-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-3,4,5-triol?
(2R,3R,4R,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-3,4,5-triol has a molecular weight of 457.69 g/mol, XLogP of 2.13, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-3,4,5-triol is sourced from PubChem (CID 22856139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).