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

C28H43NO4Si — CID 173327186

IUPAC(3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hexylpiperidine-3,4,5-triol
SMILESCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H43NO4Si/c1-5-6-7-14-19-29-20-25(30)27(32)26(31)24(29)21-33-34(28(2,3)4,22-15-10-8-11-16-22)23-17-12-9-13-18-23/h8-13,15-18,24-27,30-32H,5-7,14,19-21H2,1-4H3/t24?,25-,26+,27+/m0/s1
InChIKeyFSUBSOOURDVIQC-ZHOVUOCFSA-N
MW485.74 g/mol
LogP2.91
Rot. Bonds10

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

(3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hexylpiperidine-3,4,5-triol (PubChem CID 173327186) has the molecular formula C28H43NO4Si and a molecular weight of 485.74 g/mol. Its IUPAC name is (3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hexylpiperidine-3,4,5-triol.

Molecular Properties

Compound Name(3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hexylpiperidine-3,4,5-triol
PubChem CID173327186
Molecular FormulaC28H43NO4Si
Molecular Weight485.74 g/mol
Exact Mass485.30
IUPAC Name(3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hexylpiperidine-3,4,5-triol
SMILESCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H43NO4Si/c1-5-6-7-14-19-29-20-25(30)27(32)26(31)24(29)21-33-34(28(2,3)4,22-15-10-8-11-16-22)23-17-12-9-13-18-23/h8-13,15-18,24-27,30-32H,5-7,14,19-21H2,1-4H3/t24?,25-,26+,27+/m0/s1
InChIKeyFSUBSOOURDVIQC-ZHOVUOCFSA-N
XLogP2.91
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.74
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hexylpiperidine-3,4,5-triol?
The IUPAC name of (3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hexylpiperidine-3,4,5-triol (CID 173327186) is (3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hexylpiperidine-3,4,5-triol.
What is the SMILES notation for (3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hexylpiperidine-3,4,5-triol?
The canonical SMILES for (3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hexylpiperidine-3,4,5-triol is CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hexylpiperidine-3,4,5-triol?
The InChIKey is FSUBSOOURDVIQC-ZHOVUOCFSA-N. The full InChI is InChI=1S/C28H43NO4Si/c1-5-6-7-14-19-29-20-25(30)27(32)26(31)24(29)21-33-34(28(2,3)4,22-15-10-8-11-16-22)23-17-12-9-13-18-23/h8-13,15-18,24-27,30-32H,5-7,14,19-21H2,1-4H3/t24?,25-,26+,27+/m0/s1.
What are the key properties of (3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hexylpiperidine-3,4,5-triol?
(3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hexylpiperidine-3,4,5-triol has a molecular weight of 485.74 g/mol, XLogP of 2.91, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hexylpiperidine-3,4,5-triol is sourced from PubChem (CID 173327186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).