(2R,3R,4R,5S)-1-[[dimethyl(phenyl)silyl]methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol

C15H25NO4Si — CID 15218074

IUPAC(2R,3R,4R,5S)-1-[[dimethyl(phenyl)silyl]methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESC[Si](C)(CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccccc1
InChIInChI=1S/C15H25NO4Si/c1-21(2,11-6-4-3-5-7-11)10-16-8-13(18)15(20)14(19)12(16)9-17/h3-7,12-15,17-20H,8-10H2,1-2H3/t12-,13+,14-,15-/m1/s1
InChIKeyVIBQKRMTVGOHPD-LXTVHRRPSA-N
MW311.45 g/mol
LogP-1.10
Rot. Bonds4

About (2R,3R,4R,5S)-1-[[dimethyl(phenyl)silyl]methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol

(2R,3R,4R,5S)-1-[[dimethyl(phenyl)silyl]methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol (PubChem CID 15218074) has the molecular formula C15H25NO4Si and a molecular weight of 311.45 g/mol. Its IUPAC name is (2R,3R,4R,5S)-1-[[dimethyl(phenyl)silyl]methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-1-[[dimethyl(phenyl)silyl]methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
PubChem CID15218074
Molecular FormulaC15H25NO4Si
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name(2R,3R,4R,5S)-1-[[dimethyl(phenyl)silyl]methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESC[Si](C)(CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccccc1
InChIInChI=1S/C15H25NO4Si/c1-21(2,11-6-4-3-5-7-11)10-16-8-13(18)15(20)14(19)12(16)9-17/h3-7,12-15,17-20H,8-10H2,1-2H3/t12-,13+,14-,15-/m1/s1
InChIKeyVIBQKRMTVGOHPD-LXTVHRRPSA-N
XLogP-1.10
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
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)-1-[[dimethyl(phenyl)silyl]methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-1-[[dimethyl(phenyl)silyl]methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol (CID 15218074) is (2R,3R,4R,5S)-1-[[dimethyl(phenyl)silyl]methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-1-[[dimethyl(phenyl)silyl]methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-1-[[dimethyl(phenyl)silyl]methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol is C[Si](C)(CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccccc1.
What is the InChIKey of (2R,3R,4R,5S)-1-[[dimethyl(phenyl)silyl]methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol?
The InChIKey is VIBQKRMTVGOHPD-LXTVHRRPSA-N. The full InChI is InChI=1S/C15H25NO4Si/c1-21(2,11-6-4-3-5-7-11)10-16-8-13(18)15(20)14(19)12(16)9-17/h3-7,12-15,17-20H,8-10H2,1-2H3/t12-,13+,14-,15-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-1-[[dimethyl(phenyl)silyl]methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol?
(2R,3R,4R,5S)-1-[[dimethyl(phenyl)silyl]methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol has a molecular weight of 311.45 g/mol, XLogP of -1.10, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-1-[[dimethyl(phenyl)silyl]methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 15218074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).