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

C9H16O4 — CID 166975209

IUPAC(2R,3R,4R)-2-(hydroxymethyl)-6-propyl-3,4-dihydro-2H-pyran-3,4-diol
SMILESCCCC1=C[C@@H](O)[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C9H16O4/c1-2-3-6-4-7(11)9(12)8(5-10)13-6/h4,7-12H,2-3,5H2,1H3/t7-,8-,9-/m1/s1
InChIKeySABOHGUNNZSFMZ-IWSPIJDZSA-N
MW188.22 g/mol
LogP-0.22
Rot. Bonds3

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

(2R,3R,4R)-2-(hydroxymethyl)-6-propyl-3,4-dihydro-2H-pyran-3,4-diol (PubChem CID 166975209) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is (2R,3R,4R)-2-(hydroxymethyl)-6-propyl-3,4-dihydro-2H-pyran-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-2-(hydroxymethyl)-6-propyl-3,4-dihydro-2H-pyran-3,4-diol
PubChem CID166975209
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name(2R,3R,4R)-2-(hydroxymethyl)-6-propyl-3,4-dihydro-2H-pyran-3,4-diol
SMILESCCCC1=C[C@@H](O)[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C9H16O4/c1-2-3-6-4-7(11)9(12)8(5-10)13-6/h4,7-12H,2-3,5H2,1H3/t7-,8-,9-/m1/s1
InChIKeySABOHGUNNZSFMZ-IWSPIJDZSA-N
XLogP-0.22
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-6-propyl-3,4-dihydro-2H-pyran-3,4-diol?
The IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-6-propyl-3,4-dihydro-2H-pyran-3,4-diol (CID 166975209) is (2R,3R,4R)-2-(hydroxymethyl)-6-propyl-3,4-dihydro-2H-pyran-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-2-(hydroxymethyl)-6-propyl-3,4-dihydro-2H-pyran-3,4-diol?
The canonical SMILES for (2R,3R,4R)-2-(hydroxymethyl)-6-propyl-3,4-dihydro-2H-pyran-3,4-diol is CCCC1=C[C@@H](O)[C@@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3R,4R)-2-(hydroxymethyl)-6-propyl-3,4-dihydro-2H-pyran-3,4-diol?
The InChIKey is SABOHGUNNZSFMZ-IWSPIJDZSA-N. The full InChI is InChI=1S/C9H16O4/c1-2-3-6-4-7(11)9(12)8(5-10)13-6/h4,7-12H,2-3,5H2,1H3/t7-,8-,9-/m1/s1.
What are the key properties of (2R,3R,4R)-2-(hydroxymethyl)-6-propyl-3,4-dihydro-2H-pyran-3,4-diol?
(2R,3R,4R)-2-(hydroxymethyl)-6-propyl-3,4-dihydro-2H-pyran-3,4-diol has a molecular weight of 188.22 g/mol, XLogP of -0.22, 3 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-propyl-3,4-dihydro-2H-pyran-3,4-diol is sourced from PubChem (CID 166975209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).