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

C28H43NO4Si — CID 22869108

IUPAC(2R,3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-ethylbutyl)piperidine-3,4,5-triol
SMILESCCC(CC)CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H43NO4Si/c1-6-21(7-2)18-29-19-25(30)27(32)26(31)24(29)20-33-34(28(3,4)5,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,21,24-27,30-32H,6-7,18-20H2,1-5H3/t24-,25+,26-,27-/m1/s1
InChIKeyDGVDUSUTAWXACH-HVWQDESWSA-N
MW485.74 g/mol
LogP2.77
Rot. Bonds9

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

(2R,3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-ethylbutyl)piperidine-3,4,5-triol (PubChem CID 22869108) has the molecular formula C28H43NO4Si and a molecular weight of 485.74 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-ethylbutyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-ethylbutyl)piperidine-3,4,5-triol
PubChem CID22869108
Molecular FormulaC28H43NO4Si
Molecular Weight485.74 g/mol
Exact Mass485.30
IUPAC Name(2R,3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-ethylbutyl)piperidine-3,4,5-triol
SMILESCCC(CC)CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H43NO4Si/c1-6-21(7-2)18-29-19-25(30)27(32)26(31)24(29)20-33-34(28(3,4)5,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,21,24-27,30-32H,6-7,18-20H2,1-5H3/t24-,25+,26-,27-/m1/s1
InChIKeyDGVDUSUTAWXACH-HVWQDESWSA-N
XLogP2.77
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.74
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-ethylbutyl)piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-ethylbutyl)piperidine-3,4,5-triol (CID 22869108) is (2R,3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-ethylbutyl)piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-ethylbutyl)piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-ethylbutyl)piperidine-3,4,5-triol is CCC(CC)CN1C[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)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-ethylbutyl)piperidine-3,4,5-triol?
The InChIKey is DGVDUSUTAWXACH-HVWQDESWSA-N. The full InChI is InChI=1S/C28H43NO4Si/c1-6-21(7-2)18-29-19-25(30)27(32)26(31)24(29)20-33-34(28(3,4)5,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,21,24-27,30-32H,6-7,18-20H2,1-5H3/t24-,25+,26-,27-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-ethylbutyl)piperidine-3,4,5-triol?
(2R,3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-ethylbutyl)piperidine-3,4,5-triol has a molecular weight of 485.74 g/mol, XLogP of 2.77, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-ethylbutyl)piperidine-3,4,5-triol is sourced from PubChem (CID 22869108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).