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

C18H34O6 — CID 53245652

IUPAC(2R,3R,4S,5S,6R)-2-(6-cyclohexylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](OCCCCCCC2CCCCC2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H34O6/c19-12-14-15(20)16(21)17(22)18(24-14)23-11-7-2-1-4-8-13-9-5-3-6-10-13/h13-22H,1-12H2/t14-,15-,16+,17-,18-/m1/s1
InChIKeyIKXDBGTYPHAFNV-UYTYNIKBSA-N
MW346.46 g/mol
LogP1.33
Rot. Bonds9

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

(2R,3R,4S,5S,6R)-2-(6-cyclohexylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 53245652) has the molecular formula C18H34O6 and a molecular weight of 346.46 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-(6-cyclohexylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-(6-cyclohexylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID53245652
Molecular FormulaC18H34O6
Molecular Weight346.46 g/mol
Exact Mass346.24
IUPAC Name(2R,3R,4S,5S,6R)-2-(6-cyclohexylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](OCCCCCCC2CCCCC2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H34O6/c19-12-14-15(20)16(21)17(22)18(24-14)23-11-7-2-1-4-8-13-9-5-3-6-10-13/h13-22H,1-12H2/t14-,15-,16+,17-,18-/m1/s1
InChIKeyIKXDBGTYPHAFNV-UYTYNIKBSA-N
XLogP1.33
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-(6-cyclohexylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-(6-cyclohexylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol (CID 53245652) is (2R,3R,4S,5S,6R)-2-(6-cyclohexylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-(6-cyclohexylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-(6-cyclohexylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@@H](OCCCCCCC2CCCCC2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-(6-cyclohexylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is IKXDBGTYPHAFNV-UYTYNIKBSA-N. The full InChI is InChI=1S/C18H34O6/c19-12-14-15(20)16(21)17(22)18(24-14)23-11-7-2-1-4-8-13-9-5-3-6-10-13/h13-22H,1-12H2/t14-,15-,16+,17-,18-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-(6-cyclohexylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-(6-cyclohexylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 346.46 g/mol, XLogP of 1.33, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-(6-cyclohexylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 53245652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).