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

C8H16O6 — CID 54008536

IUPAC(3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol
SMILESCCOC1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16O6/c1-2-13-8(4-10)7(12)6(11)5(3-9)14-8/h5-7,9-12H,2-4H2,1H3/t5-,6-,7+,8?/m1/s1
InChIKeyKQQFKZUGBOQKLW-HBFKVTOISA-N
MW208.21 g/mol
LogP-2.18
Rot. Bonds4

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

(3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol (PubChem CID 54008536) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is (3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol
PubChem CID54008536
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name(3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol
SMILESCCOC1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16O6/c1-2-13-8(4-10)7(12)6(11)5(3-9)14-8/h5-7,9-12H,2-4H2,1H3/t5-,6-,7+,8?/m1/s1
InChIKeyKQQFKZUGBOQKLW-HBFKVTOISA-N
XLogP-2.18
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 154790998
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-propan-2-yloxyoxolane-3,4-diol
CID 124638273
(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R)-5-ethoxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101220688
(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5S)-5-ethoxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101220687
(2R,3R,5R)-2-[[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]methoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 123188389
(3R,4R,5S,6S)-2-ethoxy-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 141134965
(2R,3R,4S,5R)-2-ethyl-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 89336790
(3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 91845169
2-[[2-[[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 14656613
(3R,4S,5S,6R)-2-ethoxy-2-(6-fluorohexyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 175251711
(3R,4S,5S,6R)-2-ethoxy-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxylic acid
CID 121362213
(2R,3S,4S,5R)-2-(2-hydroxyethylsulfanyloxy)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 70209053

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol (CID 54008536) is (3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol is CCOC1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is KQQFKZUGBOQKLW-HBFKVTOISA-N. The full InChI is InChI=1S/C8H16O6/c1-2-13-8(4-10)7(12)6(11)5(3-9)14-8/h5-7,9-12H,2-4H2,1H3/t5-,6-,7+,8?/m1/s1.
What are the key properties of (3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
(3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 208.21 g/mol, XLogP of -2.18, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 54008536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).