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

C6H13NO4 — CID 59049885

IUPAC(2R,3R,4R,5S)-2-(deuteriooxymethyl)piperidine-3,4,5-triol
SMILES[2H]OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1/i8D
InChIKeyLXBIFEVIBLOUGU-AVGXDRLVSA-N
MW164.18 g/mol
LogP-2.97
Rot. Bonds2

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

(2R,3R,4R,5S)-2-(deuteriooxymethyl)piperidine-3,4,5-triol (PubChem CID 59049885) has the molecular formula C6H13NO4 and a molecular weight of 164.18 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(deuteriooxymethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-(deuteriooxymethyl)piperidine-3,4,5-triol
PubChem CID59049885
Molecular FormulaC6H13NO4
Molecular Weight164.18 g/mol
Exact Mass164.09
IUPAC Name(2R,3R,4R,5S)-2-(deuteriooxymethyl)piperidine-3,4,5-triol
SMILES[2H]OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1/i8D
InChIKeyLXBIFEVIBLOUGU-AVGXDRLVSA-N
XLogP-2.97
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 5-2.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4R)-2-(hydroxymethyl)piperidine-3,4,5-triol;(3S,4S)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 157357410
2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten
CID 140623793
(2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol chloride
CID 51371170
(2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol;(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 159507327
(2R,3S,4R,5S)-2-(2-hydroxyethyl)piperidine-3,4,5-triol
CID 11171290
(2R,4R,5R)-2-propylpiperidine-3,4,5-triol
CID 89224432
(3S,4S)-2-(aminomethyl)pyrrolidine-3,4-diol
CID 102214110
(2R,3S,4S,5R)-2-(2-methylsulfanylethyl)piperidine-3,4,5-triol
CID 154572772
(2S,3R,4R)-2-(2-hydroxyethyl)pyrrolidine-3,4-diol
CID 11286549
(3R,4S,5R,6S)-6-ethyl-5-(hydroxymethyl)piperidine-3,4-diol
CID 154572787
(2R,3S,4S,5R)-2-(2-propan-2-ylsulfanylethyl)piperidine-3,4,5-triol
CID 57341118
ethyl 2-[(2R,3S,4R,5R)-3,4,5-trihydroxypiperidin-2-yl]acetate
CID 10900110

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-(deuteriooxymethyl)piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-2-(deuteriooxymethyl)piperidine-3,4,5-triol (CID 59049885) is (2R,3R,4R,5S)-2-(deuteriooxymethyl)piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-2-(deuteriooxymethyl)piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-2-(deuteriooxymethyl)piperidine-3,4,5-triol is [2H]OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-2-(deuteriooxymethyl)piperidine-3,4,5-triol?
The InChIKey is LXBIFEVIBLOUGU-AVGXDRLVSA-N. The full InChI is InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1/i8D.
What are the key properties of (2R,3R,4R,5S)-2-(deuteriooxymethyl)piperidine-3,4,5-triol?
(2R,3R,4R,5S)-2-(deuteriooxymethyl)piperidine-3,4,5-triol has a molecular weight of 164.18 g/mol, XLogP of -2.97, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-(deuteriooxymethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 59049885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).