(2R,3S,4R,5S)-1-ethenoxy-2-(hydroxymethyl)piperidine-3,4,5-triol

C8H15NO5 — CID 66694775

IUPAC(2R,3S,4R,5S)-1-ethenoxy-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESC=CON1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO
InChIInChI=1S/C8H15NO5/c1-2-14-9-3-6(11)8(13)7(12)5(9)4-10/h2,5-8,10-13H,1,3-4H2/t5-,6+,7+,8-/m1/s1
InChIKeyPWBYBMWACPIXAX-VGRMVHKJSA-N
MW205.21 g/mol
LogP-2.18
Rot. Bonds3

About (2R,3S,4R,5S)-1-ethenoxy-2-(hydroxymethyl)piperidine-3,4,5-triol

(2R,3S,4R,5S)-1-ethenoxy-2-(hydroxymethyl)piperidine-3,4,5-triol (PubChem CID 66694775) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is (2R,3S,4R,5S)-1-ethenoxy-2-(hydroxymethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-1-ethenoxy-2-(hydroxymethyl)piperidine-3,4,5-triol
PubChem CID66694775
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name(2R,3S,4R,5S)-1-ethenoxy-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESC=CON1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO
InChIInChI=1S/C8H15NO5/c1-2-14-9-3-6(11)8(13)7(12)5(9)4-10/h2,5-8,10-13H,1,3-4H2/t5-,6+,7+,8-/m1/s1
InChIKeyPWBYBMWACPIXAX-VGRMVHKJSA-N
XLogP-2.18
TPSA93.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-1-ethenoxy-2-(hydroxymethyl)piperidine-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5S)-1-ethenoxy-2-(hydroxymethyl)piperidine-3,4,5-triol (CID 66694775) is (2R,3S,4R,5S)-1-ethenoxy-2-(hydroxymethyl)piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5S)-1-ethenoxy-2-(hydroxymethyl)piperidine-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5S)-1-ethenoxy-2-(hydroxymethyl)piperidine-3,4,5-triol is C=CON1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO.
What is the InChIKey of (2R,3S,4R,5S)-1-ethenoxy-2-(hydroxymethyl)piperidine-3,4,5-triol?
The InChIKey is PWBYBMWACPIXAX-VGRMVHKJSA-N. The full InChI is InChI=1S/C8H15NO5/c1-2-14-9-3-6(11)8(13)7(12)5(9)4-10/h2,5-8,10-13H,1,3-4H2/t5-,6+,7+,8-/m1/s1.
What are the key properties of (2R,3S,4R,5S)-1-ethenoxy-2-(hydroxymethyl)piperidine-3,4,5-triol?
(2R,3S,4R,5S)-1-ethenoxy-2-(hydroxymethyl)piperidine-3,4,5-triol has a molecular weight of 205.21 g/mol, XLogP of -2.18, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-1-ethenoxy-2-(hydroxymethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 66694775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).