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

C14H26O6 — CID 11197033

IUPAC(2S,3S,4S,5S,6R)-2-(2-cyclohexylethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](OCCC2CCCCC2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H26O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h9-18H,1-8H2/t10-,11-,12+,13+,14+/m1/s1
InChIKeyZOEHJKPIASFELA-DGTMBMJNSA-N
MW290.36 g/mol
LogP-0.23
Rot. Bonds5

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

(2S,3S,4S,5S,6R)-2-(2-cyclohexylethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 11197033) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-2-(2-cyclohexylethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4S,5S,6R)-2-(2-cyclohexylethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID11197033
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Name(2S,3S,4S,5S,6R)-2-(2-cyclohexylethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](OCCC2CCCCC2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H26O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h9-18H,1-8H2/t10-,11-,12+,13+,14+/m1/s1
InChIKeyZOEHJKPIASFELA-DGTMBMJNSA-N
XLogP-0.23
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S,3S,4S,5S,6R)-2-(2-cyclohexylethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Related Compounds

octyl beta-D-glucopyranoside
CID 62852
Cyclohexyl-Hexyl-Beta-D-Maltoside
CID 447688
Octyl glucopyranoside
CID 62080
Nonyl beta-D-glucopyranoside
CID 155448
Octyl Beta-D-Galactopyranoside
CID 9549264
2-Ethylhexyl alpha-D-glucopyranoside
CID 24848590
(-)-menthyl beta-D-glucoside
CID 5459767
Isopentyl beta-D-glucoside
CID 17978147
Cymal-5
CID 5327073
n-Octylglucoside
CID 548230
octyl alpha-D-mannopyranoside
CID 10957294
octyl alpha-D-glucopyranoside
CID 445318

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S,6R)-2-(2-cyclohexylethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3S,4S,5S,6R)-2-(2-cyclohexylethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol (CID 11197033) is (2S,3S,4S,5S,6R)-2-(2-cyclohexylethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4S,5S,6R)-2-(2-cyclohexylethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3S,4S,5S,6R)-2-(2-cyclohexylethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@H](OCCC2CCCCC2)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5S,6R)-2-(2-cyclohexylethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is ZOEHJKPIASFELA-DGTMBMJNSA-N. The full InChI is InChI=1S/C14H26O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h9-18H,1-8H2/t10-,11-,12+,13+,14+/m1/s1.
What are the key properties of (2S,3S,4S,5S,6R)-2-(2-cyclohexylethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3S,4S,5S,6R)-2-(2-cyclohexylethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 290.36 g/mol, XLogP of -0.23, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S,6R)-2-(2-cyclohexylethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 11197033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).