6-(2-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol

C8H16O5 — CID 123931534

IUPAC6-(2-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol
SMILESOCCC1CC(O)C(O)C(CO)O1
InChIInChI=1S/C8H16O5/c9-2-1-5-3-6(11)8(12)7(4-10)13-5/h5-12H,1-4H2
InChIKeyVDSOESJDYWZQEL-UHFFFAOYSA-N
MW192.21 g/mol
LogP-1.76
Rot. Bonds3

About 6-(2-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol

6-(2-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 123931534) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID123931534
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name6-(2-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol
SMILESOCCC1CC(O)C(O)C(CO)O1
InChIInChI=1S/C8H16O5/c9-2-1-5-3-6(11)8(12)7(4-10)13-5/h5-12H,1-4H2
InChIKeyVDSOESJDYWZQEL-UHFFFAOYSA-N
XLogP-1.76
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(hydroxymethyl)-6-pentyloxane-3,4-diol
CID 91192531
(2R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7057906
(2R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 148934060
(5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70641511
(3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 89372248
(2R,3S,4R)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 146216338
(2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 123765086
(3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol
CID 58716425
2-[(2S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N,N-diethylacetamide
CID 142342560
(6S)-6-[(Z)-2-amino-3-(methylamino)prop-2-enyl]-2-(hydroxymethyl)oxane-3,4-diol
CID 166480152
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
(2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol
CID 176683102

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of 6-(2-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol (CID 123931534) is 6-(2-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for 6-(2-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for 6-(2-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol is OCCC1CC(O)C(O)C(CO)O1.
What is the InChIKey of 6-(2-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is VDSOESJDYWZQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5/c9-2-1-5-3-6(11)8(12)7(4-10)13-5/h5-12H,1-4H2.
What are the key properties of 6-(2-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol?
6-(2-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 192.21 g/mol, XLogP of -1.76, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 123931534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).