(2R,3R,4R)-2-(hydroxymethyl)-6-pentyl-3,4-dihydro-2H-pyran-3,4-diol

C11H20O4 — CID 67481894

IUPAC(2R,3R,4R)-2-(hydroxymethyl)-6-pentyl-3,4-dihydro-2H-pyran-3,4-diol
SMILESCCCCCC1=C[C@@H](O)[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C11H20O4/c1-2-3-4-5-8-6-9(13)11(14)10(7-12)15-8/h6,9-14H,2-5,7H2,1H3/t9-,10-,11-/m1/s1
InChIKeyLYJHKOQIZMYVHX-GMTAPVOTSA-N
MW216.28 g/mol
LogP0.56
Rot. Bonds5

About (2R,3R,4R)-2-(hydroxymethyl)-6-pentyl-3,4-dihydro-2H-pyran-3,4-diol

(2R,3R,4R)-2-(hydroxymethyl)-6-pentyl-3,4-dihydro-2H-pyran-3,4-diol (PubChem CID 67481894) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R,3R,4R)-2-(hydroxymethyl)-6-pentyl-3,4-dihydro-2H-pyran-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-2-(hydroxymethyl)-6-pentyl-3,4-dihydro-2H-pyran-3,4-diol
PubChem CID67481894
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(2R,3R,4R)-2-(hydroxymethyl)-6-pentyl-3,4-dihydro-2H-pyran-3,4-diol
SMILESCCCCCC1=C[C@@H](O)[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C11H20O4/c1-2-3-4-5-8-6-9(13)11(14)10(7-12)15-8/h6,9-14H,2-5,7H2,1H3/t9-,10-,11-/m1/s1
InChIKeyLYJHKOQIZMYVHX-GMTAPVOTSA-N
XLogP0.56
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-6-pentyl-3,4-dihydro-2H-pyran-3,4-diol?
The IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-6-pentyl-3,4-dihydro-2H-pyran-3,4-diol (CID 67481894) is (2R,3R,4R)-2-(hydroxymethyl)-6-pentyl-3,4-dihydro-2H-pyran-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-2-(hydroxymethyl)-6-pentyl-3,4-dihydro-2H-pyran-3,4-diol?
The canonical SMILES for (2R,3R,4R)-2-(hydroxymethyl)-6-pentyl-3,4-dihydro-2H-pyran-3,4-diol is CCCCCC1=C[C@@H](O)[C@@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3R,4R)-2-(hydroxymethyl)-6-pentyl-3,4-dihydro-2H-pyran-3,4-diol?
The InChIKey is LYJHKOQIZMYVHX-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H20O4/c1-2-3-4-5-8-6-9(13)11(14)10(7-12)15-8/h6,9-14H,2-5,7H2,1H3/t9-,10-,11-/m1/s1.
What are the key properties of (2R,3R,4R)-2-(hydroxymethyl)-6-pentyl-3,4-dihydro-2H-pyran-3,4-diol?
(2R,3R,4R)-2-(hydroxymethyl)-6-pentyl-3,4-dihydro-2H-pyran-3,4-diol has a molecular weight of 216.28 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-(hydroxymethyl)-6-pentyl-3,4-dihydro-2H-pyran-3,4-diol is sourced from PubChem (CID 67481894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).