(2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol

C9H18O6 — CID 101177678

IUPAC(2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
SMILESCCO[C@@H]1O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]1O
InChIInChI=1S/C9H18O6/c1-3-14-9-7(12)6(11)8(13-2)5(4-10)15-9/h5-12H,3-4H2,1-2H3/t5-,6-,7-,8-,9-/m1/s1
InChIKeyYTNQDNTUAJSVQW-JGKVKWKGSA-N
MW222.24 g/mol
LogP-1.52
Rot. Bonds4

About (2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol

(2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol (PubChem CID 101177678) has the molecular formula C9H18O6 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
PubChem CID101177678
Molecular FormulaC9H18O6
Molecular Weight222.24 g/mol
Exact Mass222.11
IUPAC Name(2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
SMILESCCO[C@@H]1O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]1O
InChIInChI=1S/C9H18O6/c1-3-14-9-7(12)6(11)8(13-2)5(4-10)15-9/h5-12H,3-4H2,1-2H3/t5-,6-,7-,8-,9-/m1/s1
InChIKeyYTNQDNTUAJSVQW-JGKVKWKGSA-N
XLogP-1.52
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
CID 153463753
(3R,4R,5R)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
CID 58090235
6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol;methane
CID 163618143
(2R,3R,4R,5R)-2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 14353032
2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 548249
(2R,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121419897
(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,3S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121297517
(2R,3R,4R,5S,6R)-2-hexoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
CID 154702612

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol (CID 101177678) is (2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol is CCO[C@@H]1O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol?
The InChIKey is YTNQDNTUAJSVQW-JGKVKWKGSA-N. The full InChI is InChI=1S/C9H18O6/c1-3-14-9-7(12)6(11)8(13-2)5(4-10)15-9/h5-12H,3-4H2,1-2H3/t5-,6-,7-,8-,9-/m1/s1.
What are the key properties of (2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol?
(2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol has a molecular weight of 222.24 g/mol, XLogP of -1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol is sourced from PubChem (CID 101177678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).