(2R,3S,4R)-2-ethyl-3,4-dihydro-2H-pyran-3,4-diol

C7H12O3 — CID 118517723

IUPAC(2R,3S,4R)-2-ethyl-3,4-dihydro-2H-pyran-3,4-diol
SMILESCC[C@H]1OC=C[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H12O3/c1-2-6-7(9)5(8)3-4-10-6/h3-9H,2H2,1H3/t5-,6-,7+/m1/s1
InChIKeyHLLBWXVFCXJOPI-QYNIQEEDSA-N
MW144.17 g/mol
LogP0.03
Rot. Bonds1

About (2R,3S,4R)-2-ethyl-3,4-dihydro-2H-pyran-3,4-diol

(2R,3S,4R)-2-ethyl-3,4-dihydro-2H-pyran-3,4-diol (PubChem CID 118517723) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2R,3S,4R)-2-ethyl-3,4-dihydro-2H-pyran-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-2-ethyl-3,4-dihydro-2H-pyran-3,4-diol
PubChem CID118517723
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(2R,3S,4R)-2-ethyl-3,4-dihydro-2H-pyran-3,4-diol
SMILESCC[C@H]1OC=C[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H12O3/c1-2-6-7(9)5(8)3-4-10-6/h3-9H,2H2,1H3/t5-,6-,7+/m1/s1
InChIKeyHLLBWXVFCXJOPI-QYNIQEEDSA-N
XLogP0.03
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3S,4R)-2-ethyl-3,4-dihydro-2H-pyran-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol;methane
CID 159753385
(2R,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol
CID 12816776
[(2R,3R,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 14308101
(2R)-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol
CID 163959935
(2S,3S)-2-pentyl-2,3-dihydrofuran-3-ol
CID 101076795
(2R,3R)-2-pentyl-2,3-dihydrofuran-3-ol
CID 10702068
(3S)-3-ethoxy-2-methyl-3,4-dihydro-2H-pyran-4-ol
CID 143821584
4-(diethylamino)-2-methyl-3,4-dihydro-2H-pyran-3-ol
CID 130145181
(2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol
CID 134180059
(2R,4R,5S)-2-ethyloxane-3,4,5-triol
CID 121360500
4-ethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
CID 20657039
[(2R,3S)-2-ethyl-3-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
CID 174153839

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-ethyl-3,4-dihydro-2H-pyran-3,4-diol?
The IUPAC name of (2R,3S,4R)-2-ethyl-3,4-dihydro-2H-pyran-3,4-diol (CID 118517723) is (2R,3S,4R)-2-ethyl-3,4-dihydro-2H-pyran-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-2-ethyl-3,4-dihydro-2H-pyran-3,4-diol?
The canonical SMILES for (2R,3S,4R)-2-ethyl-3,4-dihydro-2H-pyran-3,4-diol is CC[C@H]1OC=C[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R)-2-ethyl-3,4-dihydro-2H-pyran-3,4-diol?
The InChIKey is HLLBWXVFCXJOPI-QYNIQEEDSA-N. The full InChI is InChI=1S/C7H12O3/c1-2-6-7(9)5(8)3-4-10-6/h3-9H,2H2,1H3/t5-,6-,7+/m1/s1.
What are the key properties of (2R,3S,4R)-2-ethyl-3,4-dihydro-2H-pyran-3,4-diol?
(2R,3S,4R)-2-ethyl-3,4-dihydro-2H-pyran-3,4-diol has a molecular weight of 144.17 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-ethyl-3,4-dihydro-2H-pyran-3,4-diol is sourced from PubChem (CID 118517723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).