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

C12H26N2O8 — CID 157357410

IUPAC(2R,4R)-2-(hydroxymethyl)piperidine-3,4,5-triol;(3S,4S)-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESOCC1NCC(O)[C@H](O)[C@H]1O.OC[C@H]1NCC(O)[C@@H](O)C1O
InChIInChI=1S/2C6H13NO4/c2*8-2-3-5(10)6(11)4(9)1-7-3/h2*3-11H,1-2H2/t3?,4?,5-,6-;3-,4?,5?,6-/m01/s1
InChIKeyBIGCUVTZTSNKQJ-WUHWKNRTSA-N
MW326.35 g/mol
LogP-5.93
Rot. Bonds2

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

(2R,4R)-2-(hydroxymethyl)piperidine-3,4,5-triol;(3S,4S)-2-(hydroxymethyl)piperidine-3,4,5-triol (PubChem CID 157357410) has the molecular formula C12H26N2O8 and a molecular weight of 326.35 g/mol. Its IUPAC name is (2R,4R)-2-(hydroxymethyl)piperidine-3,4,5-triol;(3S,4S)-2-(hydroxymethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,4R)-2-(hydroxymethyl)piperidine-3,4,5-triol;(3S,4S)-2-(hydroxymethyl)piperidine-3,4,5-triol
PubChem CID157357410
Molecular FormulaC12H26N2O8
Molecular Weight326.35 g/mol
Exact Mass326.17
IUPAC Name(2R,4R)-2-(hydroxymethyl)piperidine-3,4,5-triol;(3S,4S)-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESOCC1NCC(O)[C@H](O)[C@H]1O.OC[C@H]1NCC(O)[C@@H](O)C1O
InChIInChI=1S/2C6H13NO4/c2*8-2-3-5(10)6(11)4(9)1-7-3/h2*3-11H,1-2H2/t3?,4?,5-,6-;3-,4?,5?,6-/m01/s1
InChIKeyBIGCUVTZTSNKQJ-WUHWKNRTSA-N
XLogP-5.93
TPSA185.90 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.35
LogP ≤ 5-5.93
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

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Related Compounds

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,3R,4R,5S)-2-(deuteriooxymethyl)piperidine-3,4,5-triol
CID 59049885
(2R,3S,4R,5S)-2-(2-hydroxyethyl)piperidine-3,4,5-triol
CID 11171290
(2S,3R,4R,5S,6R)-6-amino-2-(hydroxymethyl)azepane-3,4,5-triol
CID 11469580
(2R,4R,5R)-2-propylpiperidine-3,4,5-triol
CID 89224432
(2S,3R,4R)-2-(2-hydroxyethyl)pyrrolidine-3,4-diol
CID 11286549
(3S,4S)-2-(aminomethyl)pyrrolidine-3,4-diol
CID 102214110
(3R,4S,5R,6S)-6-ethyl-5-(hydroxymethyl)piperidine-3,4-diol
CID 154572787
(2R,3S,4S,5R)-2-(2-methylsulfanylethyl)piperidine-3,4,5-triol
CID 154572772
(2R,3R,4R)-2-(5-hydroxypentyl)pyrrolidine-3,4-diol
CID 45380291

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(hydroxymethyl)piperidine-3,4,5-triol;(3S,4S)-2-(hydroxymethyl)piperidine-3,4,5-triol?
The IUPAC name of (2R,4R)-2-(hydroxymethyl)piperidine-3,4,5-triol;(3S,4S)-2-(hydroxymethyl)piperidine-3,4,5-triol (CID 157357410) is (2R,4R)-2-(hydroxymethyl)piperidine-3,4,5-triol;(3S,4S)-2-(hydroxymethyl)piperidine-3,4,5-triol.
What is the SMILES notation for (2R,4R)-2-(hydroxymethyl)piperidine-3,4,5-triol;(3S,4S)-2-(hydroxymethyl)piperidine-3,4,5-triol?
The canonical SMILES for (2R,4R)-2-(hydroxymethyl)piperidine-3,4,5-triol;(3S,4S)-2-(hydroxymethyl)piperidine-3,4,5-triol is OCC1NCC(O)[C@H](O)[C@H]1O.OC[C@H]1NCC(O)[C@@H](O)C1O.
What is the InChIKey of (2R,4R)-2-(hydroxymethyl)piperidine-3,4,5-triol;(3S,4S)-2-(hydroxymethyl)piperidine-3,4,5-triol?
The InChIKey is BIGCUVTZTSNKQJ-WUHWKNRTSA-N. The full InChI is InChI=1S/2C6H13NO4/c2*8-2-3-5(10)6(11)4(9)1-7-3/h2*3-11H,1-2H2/t3?,4?,5-,6-;3-,4?,5?,6-/m01/s1.
What are the key properties of (2R,4R)-2-(hydroxymethyl)piperidine-3,4,5-triol;(3S,4S)-2-(hydroxymethyl)piperidine-3,4,5-triol?
(2R,4R)-2-(hydroxymethyl)piperidine-3,4,5-triol;(3S,4S)-2-(hydroxymethyl)piperidine-3,4,5-triol has a molecular weight of 326.35 g/mol, XLogP of -5.93, 2 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(hydroxymethyl)piperidine-3,4,5-triol;(3S,4S)-2-(hydroxymethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 157357410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).