(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-4-trimethylsilylbut-2-enyl]piperidine-3,4,5-triol

C13H27NO4Si — CID 15221168

IUPAC(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-4-trimethylsilylbut-2-enyl]piperidine-3,4,5-triol
SMILESC[Si](C)(C)C/C=C/CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C13H27NO4Si/c1-19(2,3)7-5-4-6-14-8-11(16)13(18)12(17)10(14)9-15/h4-5,10-13,15-18H,6-9H2,1-3H3/b5-4+/t10-,11+,12-,13-/m1/s1
InChIKeyROVHLDLBVVRKHH-RCCWOMQKSA-N
MW289.45 g/mol
LogP-0.36
Rot. Bonds5

About (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-4-trimethylsilylbut-2-enyl]piperidine-3,4,5-triol

(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-4-trimethylsilylbut-2-enyl]piperidine-3,4,5-triol (PubChem CID 15221168) has the molecular formula C13H27NO4Si and a molecular weight of 289.45 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-4-trimethylsilylbut-2-enyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-4-trimethylsilylbut-2-enyl]piperidine-3,4,5-triol
PubChem CID15221168
Molecular FormulaC13H27NO4Si
Molecular Weight289.45 g/mol
Exact Mass289.17
IUPAC Name(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-4-trimethylsilylbut-2-enyl]piperidine-3,4,5-triol
SMILESC[Si](C)(C)C/C=C/CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C13H27NO4Si/c1-19(2,3)7-5-4-6-14-8-11(16)13(18)12(17)10(14)9-15/h4-5,10-13,15-18H,6-9H2,1-3H3/b5-4+/t10-,11+,12-,13-/m1/s1
InChIKeyROVHLDLBVVRKHH-RCCWOMQKSA-N
XLogP-0.36
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-4-trimethylsilylbut-2-enyl]piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-4-trimethylsilylbut-2-enyl]piperidine-3,4,5-triol (CID 15221168) is (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-4-trimethylsilylbut-2-enyl]piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-4-trimethylsilylbut-2-enyl]piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-4-trimethylsilylbut-2-enyl]piperidine-3,4,5-triol is C[Si](C)(C)C/C=C/CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.
What is the InChIKey of (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-4-trimethylsilylbut-2-enyl]piperidine-3,4,5-triol?
The InChIKey is ROVHLDLBVVRKHH-RCCWOMQKSA-N. The full InChI is InChI=1S/C13H27NO4Si/c1-19(2,3)7-5-4-6-14-8-11(16)13(18)12(17)10(14)9-15/h4-5,10-13,15-18H,6-9H2,1-3H3/b5-4+/t10-,11+,12-,13-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-4-trimethylsilylbut-2-enyl]piperidine-3,4,5-triol?
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-4-trimethylsilylbut-2-enyl]piperidine-3,4,5-triol has a molecular weight of 289.45 g/mol, XLogP of -0.36, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-4-trimethylsilylbut-2-enyl]piperidine-3,4,5-triol is sourced from PubChem (CID 15221168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).