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

C13H24O6 — CID 53326707

IUPAC(2S,3S,4S,5S,6R)-2-(cyclohexylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](OCC2CCCCC2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H24O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h8-17H,1-7H2/t9-,10-,11+,12+,13+/m1/s1
InChIKeyCXOBIAQSZOENTL-BNDIWNMDSA-N
MW276.33 g/mol
LogP-0.62
Rot. Bonds4

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

(2S,3S,4S,5S,6R)-2-(cyclohexylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 53326707) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-2-(cyclohexylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4S,5S,6R)-2-(cyclohexylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID53326707
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name(2S,3S,4S,5S,6R)-2-(cyclohexylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](OCC2CCCCC2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H24O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h8-17H,1-7H2/t9-,10-,11+,12+,13+/m1/s1
InChIKeyCXOBIAQSZOENTL-BNDIWNMDSA-N
XLogP-0.62
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S,6R)-2-(cyclohexylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3S,4S,5S,6R)-2-(cyclohexylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol (CID 53326707) is (2S,3S,4S,5S,6R)-2-(cyclohexylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4S,5S,6R)-2-(cyclohexylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3S,4S,5S,6R)-2-(cyclohexylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@H](OCC2CCCCC2)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5S,6R)-2-(cyclohexylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is CXOBIAQSZOENTL-BNDIWNMDSA-N. The full InChI is InChI=1S/C13H24O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h8-17H,1-7H2/t9-,10-,11+,12+,13+/m1/s1.
What are the key properties of (2S,3S,4S,5S,6R)-2-(cyclohexylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3S,4S,5S,6R)-2-(cyclohexylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 276.33 g/mol, XLogP of -0.62, 4 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-(cyclohexylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 53326707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).