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

C31H49NO4Si — CID 173327182

IUPAC(3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-nonylpiperidine-3,4,5-triol
SMILESCCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H49NO4Si/c1-5-6-7-8-9-10-17-22-32-23-28(33)30(35)29(34)27(32)24-36-37(31(2,3)4,25-18-13-11-14-19-25)26-20-15-12-16-21-26/h11-16,18-21,27-30,33-35H,5-10,17,22-24H2,1-4H3/t27?,28-,29+,30+/m0/s1
InChIKeyDYCPFAGWDCVEOH-NIXPGEGASA-N
MW527.82 g/mol
LogP4.08
Rot. Bonds13

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

(3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-nonylpiperidine-3,4,5-triol (PubChem CID 173327182) has the molecular formula C31H49NO4Si and a molecular weight of 527.82 g/mol. Its IUPAC name is (3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-nonylpiperidine-3,4,5-triol.

Molecular Properties

Compound Name(3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-nonylpiperidine-3,4,5-triol
PubChem CID173327182
Molecular FormulaC31H49NO4Si
Molecular Weight527.82 g/mol
Exact Mass527.34
IUPAC Name(3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-nonylpiperidine-3,4,5-triol
SMILESCCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H49NO4Si/c1-5-6-7-8-9-10-17-22-32-23-28(33)30(35)29(34)27(32)24-36-37(31(2,3)4,25-18-13-11-14-19-25)26-20-15-12-16-21-26/h11-16,18-21,27-30,33-35H,5-10,17,22-24H2,1-4H3/t27?,28-,29+,30+/m0/s1
InChIKeyDYCPFAGWDCVEOH-NIXPGEGASA-N
XLogP4.08
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.82
LogP ≤ 54.08
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-nonylpiperidine-3,4,5-triol?
The IUPAC name of (3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-nonylpiperidine-3,4,5-triol (CID 173327182) is (3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-nonylpiperidine-3,4,5-triol.
What is the SMILES notation for (3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-nonylpiperidine-3,4,5-triol?
The canonical SMILES for (3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-nonylpiperidine-3,4,5-triol is CCCCCCCCCN1C[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-nonylpiperidine-3,4,5-triol?
The InChIKey is DYCPFAGWDCVEOH-NIXPGEGASA-N. The full InChI is InChI=1S/C31H49NO4Si/c1-5-6-7-8-9-10-17-22-32-23-28(33)30(35)29(34)27(32)24-36-37(31(2,3)4,25-18-13-11-14-19-25)26-20-15-12-16-21-26/h11-16,18-21,27-30,33-35H,5-10,17,22-24H2,1-4H3/t27?,28-,29+,30+/m0/s1.
What are the key properties of (3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-nonylpiperidine-3,4,5-triol?
(3R,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-nonylpiperidine-3,4,5-triol has a molecular weight of 527.82 g/mol, XLogP of 4.08, 13 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-nonylpiperidine-3,4,5-triol is sourced from PubChem (CID 173327182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).