(2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol

C8H16O4 — CID 11030343

IUPAC(2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol
SMILESCCO[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1
InChIInChI=1S/C8H16O4/c1-3-11-7-4-6(9)8(10)5(2)12-7/h5-10H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKeyAVLZICQZPUJTER-WCTZXXKLSA-N
MW176.21 g/mol
LogP-0.12
Rot. Bonds2

About (2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol

(2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol (PubChem CID 11030343) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol
PubChem CID11030343
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol
SMILESCCO[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1
InChIInChI=1S/C8H16O4/c1-3-11-7-4-6(9)8(10)5(2)12-7/h5-10H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKeyAVLZICQZPUJTER-WCTZXXKLSA-N
XLogP-0.12
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-2-methyloxane-3,4-diol
CID 20764116
6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol
CID 163002140
(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
CID 12775768
(3R,6R)-6-[(2S)-2,3-dihydroxybutoxy]-2-methyloxane-3,4-diol
CID 70916039
[(4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl] hypofluorite
CID 67929975
(3R,4R,6R)-6-ethoxy-2,3,4-trimethyloxane
CID 58651620
(2S,4S,5S,6R)-6-methyloxane-2,4,5-triol
CID 6543736
(3S,6S)-6-[(3R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol
CID 70898410
(2R,3S,4R,6R)-6-[(2R,3R,4R,6S)-3,6-dihydroxy-2-methyloxan-4-yl]oxy-2-methyloxane-3,4-diol
CID 91848517
(3S,6S)-6-[(6-ethoxy-4-hydroxyoxan-2-yl)methoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 177228824
ethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol
CID 143276488
6-ethoxy-2,5-dimethyloxane-3,4-diol
CID 159419325

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol?
The IUPAC name of (2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol (CID 11030343) is (2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol is CCO[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1.
What is the InChIKey of (2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol?
The InChIKey is AVLZICQZPUJTER-WCTZXXKLSA-N. The full InChI is InChI=1S/C8H16O4/c1-3-11-7-4-6(9)8(10)5(2)12-7/h5-10H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1.
What are the key properties of (2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol?
(2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol has a molecular weight of 176.21 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol is sourced from PubChem (CID 11030343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).