2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol

C7H14O5 — CID 548249

IUPAC2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCOC1OC(CO)C(O)C1O
InChIInChI=1S/C7H14O5/c1-2-11-7-6(10)5(9)4(3-8)12-7/h4-10H,2-3H2,1H3
InChIKeyXESKOQZTIQOBMT-UHFFFAOYSA-N
MW178.18 g/mol
LogP-1.54
Rot. Bonds3

About 2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol

2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 548249) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is 2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID548249
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCOC1OC(CO)C(O)C1O
InChIInChI=1S/C7H14O5/c1-2-11-7-6(10)5(9)4(3-8)12-7/h4-10H,2-3H2,1H3
InChIKeyXESKOQZTIQOBMT-UHFFFAOYSA-N
XLogP-1.54
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4R,5R)-2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 14353032
(2S,3S,4S,5S,6S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91694274
(3R,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 167273002
(2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67410978
(4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 160607316
(2R,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121419897
(2R,3S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121297517
actinium;(2S,4S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59059867
2-[2-[2-[2-[2-[2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 167206332
(3R,4R,5S,6R)-2-ethoxy-5-(18F)fluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 15949155
(3R,4R,5R,6R)-2-ethoxy-6-(hydroxymethyl)-5-(123I)iodooxane-3,4-diol
CID 15949341
(2S)-2-ethoxy-5-ethyl-6-(hydroxymethyl)oxane-3,4-diol
CID 174085812

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of 2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol (CID 548249) is 2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for 2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for 2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol is CCOC1OC(CO)C(O)C1O.
What is the InChIKey of 2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is XESKOQZTIQOBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5/c1-2-11-7-6(10)5(9)4(3-8)12-7/h4-10H,2-3H2,1H3.
What are the key properties of 2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol?
2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 178.18 g/mol, XLogP of -1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 548249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).