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

C12H25NO4Si — CID 10039088

IUPAC(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-3-trimethylsilylprop-2-enyl]piperidine-3,4,5-triol
SMILESC[Si](C)(C)/C=C/CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C12H25NO4Si/c1-18(2,3)6-4-5-13-7-10(15)12(17)11(16)9(13)8-14/h4,6,9-12,14-17H,5,7-8H2,1-3H3/b6-4+/t9-,10+,11-,12-/m1/s1
InChIKeyAHYWGPQILWVHMI-RANDFCPBSA-N
MW275.42 g/mol
LogP-0.82
Rot. Bonds4

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

(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-3-trimethylsilylprop-2-enyl]piperidine-3,4,5-triol (PubChem CID 10039088) has the molecular formula C12H25NO4Si and a molecular weight of 275.42 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-3-trimethylsilylprop-2-enyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-3-trimethylsilylprop-2-enyl]piperidine-3,4,5-triol
PubChem CID10039088
Molecular FormulaC12H25NO4Si
Molecular Weight275.42 g/mol
Exact Mass275.16
IUPAC Name(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-3-trimethylsilylprop-2-enyl]piperidine-3,4,5-triol
SMILESC[Si](C)(C)/C=C/CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C12H25NO4Si/c1-18(2,3)6-4-5-13-7-10(15)12(17)11(16)9(13)8-14/h4,6,9-12,14-17H,5,7-8H2,1-3H3/b6-4+/t9-,10+,11-,12-/m1/s1
InChIKeyAHYWGPQILWVHMI-RANDFCPBSA-N
XLogP-0.82
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 5-0.82
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)-2-(hydroxymethyl)-1-[(E)-3-trimethylsilylprop-2-enyl]piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-3-trimethylsilylprop-2-enyl]piperidine-3,4,5-triol (CID 10039088) is (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-3-trimethylsilylprop-2-enyl]piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-3-trimethylsilylprop-2-enyl]piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-3-trimethylsilylprop-2-enyl]piperidine-3,4,5-triol is C[Si](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)-3-trimethylsilylprop-2-enyl]piperidine-3,4,5-triol?
The InChIKey is AHYWGPQILWVHMI-RANDFCPBSA-N. The full InChI is InChI=1S/C12H25NO4Si/c1-18(2,3)6-4-5-13-7-10(15)12(17)11(16)9(13)8-14/h4,6,9-12,14-17H,5,7-8H2,1-3H3/b6-4+/t9-,10+,11-,12-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-3-trimethylsilylprop-2-enyl]piperidine-3,4,5-triol?
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(E)-3-trimethylsilylprop-2-enyl]piperidine-3,4,5-triol has a molecular weight of 275.42 g/mol, XLogP of -0.82, 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)-2-(hydroxymethyl)-1-[(E)-3-trimethylsilylprop-2-enyl]piperidine-3,4,5-triol is sourced from PubChem (CID 10039088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).