(2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol

C7H14O4 — CID 59615653

IUPAC(2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCC[C@@H]1O[C@H](CO)C(O)[C@@H]1O
InChIInChI=1S/C7H14O4/c1-2-4-6(9)7(10)5(3-8)11-4/h4-10H,2-3H2,1H3/t4-,5+,6+,7?/m0/s1
InChIKeyPNJSPASGHSBRGB-CUWOBHIPSA-N
MW162.18 g/mol
LogP-1.12
Rot. Bonds2

About (2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol

(2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 59615653) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is (2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID59615653
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCC[C@@H]1O[C@H](CO)C(O)[C@@H]1O
InChIInChI=1S/C7H14O4/c1-2-4-6(9)7(10)5(3-8)11-4/h4-10H,2-3H2,1H3/t4-,5+,6+,7?/m0/s1
InChIKeyPNJSPASGHSBRGB-CUWOBHIPSA-N
XLogP-1.12
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-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

(2R,4R,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89053522
(2R,3S,4R,5S,6R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 131178866
(2R,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89021671
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
5-amino-6-ethyl-2-(hydroxymethyl)oxane-3,4-diol
CID 20760770
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
cyclohexane-1,2,3,4,5,6-hexol;bis((2R,4S,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol);(2R,4S,5R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 158329736
(2R,3R,4S,5R)-4-amino-5-ethyl-2-(hydroxymethyl)oxolan-3-ol
CID 129088072
(3R,4S,5R)-5-ethyloxolane-2,3,4-triol
CID 59169178

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol (CID 59615653) is (2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol is CC[C@@H]1O[C@H](CO)C(O)[C@@H]1O.
What is the InChIKey of (2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is PNJSPASGHSBRGB-CUWOBHIPSA-N. The full InChI is InChI=1S/C7H14O4/c1-2-4-6(9)7(10)5(3-8)11-4/h4-10H,2-3H2,1H3/t4-,5+,6+,7?/m0/s1.
What are the key properties of (2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol?
(2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 162.18 g/mol, XLogP of -1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 59615653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).