(2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-(2-hydroxypropyl)oxane-3,4-diol

C15H28O6 — CID 46885409

IUPAC(2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-(2-hydroxypropyl)oxane-3,4-diol
SMILESCC(O)C[C@H]1[C@@H](OC2CCCCC2)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H28O6/c1-9(17)7-11-13(18)14(19)12(8-16)21-15(11)20-10-5-3-2-4-6-10/h9-19H,2-8H2,1H3/t9?,11-,12-,13-,14-,15+/m1/s1
InChIKeyPJDNUTKOHPACDR-ZMPBYDAFSA-N
MW304.38 g/mol
LogP0.16
Rot. Bonds5

About (2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-(2-hydroxypropyl)oxane-3,4-diol

(2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-(2-hydroxypropyl)oxane-3,4-diol (PubChem CID 46885409) has the molecular formula C15H28O6 and a molecular weight of 304.38 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-(2-hydroxypropyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-(2-hydroxypropyl)oxane-3,4-diol
PubChem CID46885409
Molecular FormulaC15H28O6
Molecular Weight304.38 g/mol
Exact Mass304.19
IUPAC Name(2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-(2-hydroxypropyl)oxane-3,4-diol
SMILESCC(O)C[C@H]1[C@@H](OC2CCCCC2)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H28O6/c1-9(17)7-11-13(18)14(19)12(8-16)21-15(11)20-10-5-3-2-4-6-10/h9-19H,2-8H2,1H3/t9?,11-,12-,13-,14-,15+/m1/s1
InChIKeyPJDNUTKOHPACDR-ZMPBYDAFSA-N
XLogP0.16
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-(2-hydroxypropyl)oxane-3,4-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-(2-hydroxypropyl)oxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-(2-hydroxypropyl)oxane-3,4-diol (CID 46885409) is (2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-(2-hydroxypropyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-(2-hydroxypropyl)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-(2-hydroxypropyl)oxane-3,4-diol is CC(O)C[C@H]1[C@@H](OC2CCCCC2)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-(2-hydroxypropyl)oxane-3,4-diol?
The InChIKey is PJDNUTKOHPACDR-ZMPBYDAFSA-N. The full InChI is InChI=1S/C15H28O6/c1-9(17)7-11-13(18)14(19)12(8-16)21-15(11)20-10-5-3-2-4-6-10/h9-19H,2-8H2,1H3/t9?,11-,12-,13-,14-,15+/m1/s1.
What are the key properties of (2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-(2-hydroxypropyl)oxane-3,4-diol?
(2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-(2-hydroxypropyl)oxane-3,4-diol has a molecular weight of 304.38 g/mol, XLogP of 0.16, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-(2-hydroxypropyl)oxane-3,4-diol is sourced from PubChem (CID 46885409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).