1-[(2S,3R,4R,5S,6R)-2-cyclohexyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]propan-2-one

C15H26O6 — CID 46885410

IUPAC1-[(2S,3R,4R,5S,6R)-2-cyclohexyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]propan-2-one
SMILESCC(=O)C[C@H]1[C@@H](OC2CCCCC2)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H26O6/c1-9(17)7-11-13(18)14(19)12(8-16)21-15(11)20-10-5-3-2-4-6-10/h10-16,18-19H,2-8H2,1H3/t11-,12-,13-,14-,15+/m1/s1
InChIKeyOIWOHXUFYAMPDJ-RYPNDVFKSA-N
MW302.37 g/mol
LogP0.37
Rot. Bonds5

About 1-[(2S,3R,4R,5S,6R)-2-cyclohexyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]propan-2-one

1-[(2S,3R,4R,5S,6R)-2-cyclohexyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]propan-2-one (PubChem CID 46885410) has the molecular formula C15H26O6 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[(2S,3R,4R,5S,6R)-2-cyclohexyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2S,3R,4R,5S,6R)-2-cyclohexyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]propan-2-one
PubChem CID46885410
Molecular FormulaC15H26O6
Molecular Weight302.37 g/mol
Exact Mass302.17
IUPAC Name1-[(2S,3R,4R,5S,6R)-2-cyclohexyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]propan-2-one
SMILESCC(=O)C[C@H]1[C@@H](OC2CCCCC2)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H26O6/c1-9(17)7-11-13(18)14(19)12(8-16)21-15(11)20-10-5-3-2-4-6-10/h10-16,18-19H,2-8H2,1H3/t11-,12-,13-,14-,15+/m1/s1
InChIKeyOIWOHXUFYAMPDJ-RYPNDVFKSA-N
XLogP0.37
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R,4R,5S,6R)-2-cyclohexyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]propan-2-one?
The IUPAC name of 1-[(2S,3R,4R,5S,6R)-2-cyclohexyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]propan-2-one (CID 46885410) is 1-[(2S,3R,4R,5S,6R)-2-cyclohexyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]propan-2-one.
What is the SMILES notation for 1-[(2S,3R,4R,5S,6R)-2-cyclohexyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]propan-2-one?
The canonical SMILES for 1-[(2S,3R,4R,5S,6R)-2-cyclohexyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]propan-2-one 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 1-[(2S,3R,4R,5S,6R)-2-cyclohexyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]propan-2-one?
The InChIKey is OIWOHXUFYAMPDJ-RYPNDVFKSA-N. The full InChI is InChI=1S/C15H26O6/c1-9(17)7-11-13(18)14(19)12(8-16)21-15(11)20-10-5-3-2-4-6-10/h10-16,18-19H,2-8H2,1H3/t11-,12-,13-,14-,15+/m1/s1.
What are the key properties of 1-[(2S,3R,4R,5S,6R)-2-cyclohexyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]propan-2-one?
1-[(2S,3R,4R,5S,6R)-2-cyclohexyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]propan-2-one has a molecular weight of 302.37 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R,4R,5S,6R)-2-cyclohexyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]propan-2-one is sourced from PubChem (CID 46885410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).