(2S,3R,4S,5S,6R)-2-(2-ethylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C14H28O6 — CID 24848590

IUPAC(2S,3R,4S,5S,6R)-2-(2-ethylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCCCC(CC)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H28O6/c1-3-5-6-9(4-2)8-19-14-13(18)12(17)11(16)10(7-15)20-14/h9-18H,3-8H2,1-2H3/t9?,10-,11-,12+,13-,14+/m1/s1
InChIKeyFYYKJKKBDPRFJO-IZVWSYFDSA-N
MW292.37 g/mol
LogP0.02
Rot. Bonds8

About (2S,3R,4S,5S,6R)-2-(2-ethylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4S,5S,6R)-2-(2-ethylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 24848590) has the molecular formula C14H28O6 and a molecular weight of 292.37 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-2-(2-ethylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-2-(2-ethylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID24848590
Molecular FormulaC14H28O6
Molecular Weight292.37 g/mol
Exact Mass292.19
IUPAC Name(2S,3R,4S,5S,6R)-2-(2-ethylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCCCC(CC)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H28O6/c1-3-5-6-9(4-2)8-19-14-13(18)12(17)11(16)10(7-15)20-14/h9-18H,3-8H2,1-2H3/t9?,10-,11-,12+,13-,14+/m1/s1
InChIKeyFYYKJKKBDPRFJO-IZVWSYFDSA-N
XLogP0.02
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-2-(2-ethylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5S,6R)-2-(2-ethylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol (CID 24848590) is (2S,3R,4S,5S,6R)-2-(2-ethylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5S,6R)-2-(2-ethylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5S,6R)-2-(2-ethylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol is CCCCC(CC)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5S,6R)-2-(2-ethylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is FYYKJKKBDPRFJO-IZVWSYFDSA-N. The full InChI is InChI=1S/C14H28O6/c1-3-5-6-9(4-2)8-19-14-13(18)12(17)11(16)10(7-15)20-14/h9-18H,3-8H2,1-2H3/t9?,10-,11-,12+,13-,14+/m1/s1.
What are the key properties of (2S,3R,4S,5S,6R)-2-(2-ethylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3R,4S,5S,6R)-2-(2-ethylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 292.37 g/mol, XLogP of 0.02, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6R)-2-(2-ethylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 24848590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).