(2R,3S,4R,5S)-2-(2-hydroxyethyl)piperidine-3,4,5-triol

C7H15NO4 — CID 11171290

IUPAC(2R,3S,4R,5S)-2-(2-hydroxyethyl)piperidine-3,4,5-triol
SMILESOCC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H15NO4/c9-2-1-4-6(11)7(12)5(10)3-8-4/h4-12H,1-3H2/t4-,5+,6+,7-/m1/s1
InChIKeyCJJRQVQPXAFTFW-JRTVQGFMSA-N
MW177.20 g/mol
LogP-2.58
Rot. Bonds2

About (2R,3S,4R,5S)-2-(2-hydroxyethyl)piperidine-3,4,5-triol

(2R,3S,4R,5S)-2-(2-hydroxyethyl)piperidine-3,4,5-triol (PubChem CID 11171290) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-(2-hydroxyethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2-(2-hydroxyethyl)piperidine-3,4,5-triol
PubChem CID11171290
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name(2R,3S,4R,5S)-2-(2-hydroxyethyl)piperidine-3,4,5-triol
SMILESOCC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H15NO4/c9-2-1-4-6(11)7(12)5(10)3-8-4/h4-12H,1-3H2/t4-,5+,6+,7-/m1/s1
InChIKeyCJJRQVQPXAFTFW-JRTVQGFMSA-N
XLogP-2.58
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-2.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4R)-2-(2-hydroxyethyl)pyrrolidine-3,4-diol
CID 11286549
(2R,4R)-2-(hydroxymethyl)piperidine-3,4,5-triol;(3S,4S)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 157357410
(2R,4R,5R)-2-propylpiperidine-3,4,5-triol
CID 89224432
2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten
CID 140623793
(2R,3R,4R)-2-(5-hydroxypentyl)pyrrolidine-3,4-diol
CID 45380291
(2R,3S,4S,5R)-2-(2-methylsulfanylethyl)piperidine-3,4,5-triol
CID 154572772
(2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol chloride
CID 51371170
(2R,3S,4S,5R)-2-(2-propan-2-ylsulfanylethyl)piperidine-3,4,5-triol
CID 57341118
(2R,3R,4R,5S)-2-(deuteriooxymethyl)piperidine-3,4,5-triol
CID 59049885
(2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol;(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 159507327
(3S,4S)-2-(aminomethyl)pyrrolidine-3,4-diol
CID 102214110
(3R,4S,5R,6R)-5-(hydroxymethyl)-6-octylpiperidine-3,4-diol
CID 122657807

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-2-(2-hydroxyethyl)piperidine-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5S)-2-(2-hydroxyethyl)piperidine-3,4,5-triol (CID 11171290) is (2R,3S,4R,5S)-2-(2-hydroxyethyl)piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5S)-2-(2-hydroxyethyl)piperidine-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5S)-2-(2-hydroxyethyl)piperidine-3,4,5-triol is OCC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4R,5S)-2-(2-hydroxyethyl)piperidine-3,4,5-triol?
The InChIKey is CJJRQVQPXAFTFW-JRTVQGFMSA-N. The full InChI is InChI=1S/C7H15NO4/c9-2-1-4-6(11)7(12)5(10)3-8-4/h4-12H,1-3H2/t4-,5+,6+,7-/m1/s1.
What are the key properties of (2R,3S,4R,5S)-2-(2-hydroxyethyl)piperidine-3,4,5-triol?
(2R,3S,4R,5S)-2-(2-hydroxyethyl)piperidine-3,4,5-triol has a molecular weight of 177.20 g/mol, XLogP of -2.58, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-2-(2-hydroxyethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 11171290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).