3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol

C8H16O6 — CID 6421426

IUPAC3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol
SMILESCOCC1OC(O)C(OC)C(O)C1O
InChIInChI=1S/C8H16O6/c1-12-3-4-5(9)6(10)7(13-2)8(11)14-4/h4-11H,3H2,1-2H3
InChIKeyCJUQCEZPMNQPIV-UHFFFAOYSA-N
MW208.21 g/mol
LogP-1.91
Rot. Bonds3

About 3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol

3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol (PubChem CID 6421426) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is 3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol
PubChem CID6421426
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol
SMILESCOCC1OC(O)C(OC)C(O)C1O
InChIInChI=1S/C8H16O6/c1-12-3-4-5(9)6(10)7(13-2)8(11)14-4/h4-11H,3H2,1-2H3
InChIKeyCJUQCEZPMNQPIV-UHFFFAOYSA-N
XLogP-1.91
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R,6S)-4,6-dihydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)oxane-3,4-diol
CID 101341902
(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
CID 12903171
(2S,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
CID 12903172
(2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol
CID 125028190
(2S,3S,4S,5S,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol
CID 26176683
(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide
CID 175363710
(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 67720038
ethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 170573273
(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol
CID 101341910
6-(methoxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 123282538
(2R)-2-methoxy-6-(methoxymethyl)oxane-3,4,5-triol
CID 58069229
(3R,4S,5R,6R)-6-(methoxymethyl)-3,4-dipropoxyoxane-2,5-diol
CID 91331458

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol?
The IUPAC name of 3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol (CID 6421426) is 3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for 3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol?
The canonical SMILES for 3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol is COCC1OC(O)C(OC)C(O)C1O.
What is the InChIKey of 3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol?
The InChIKey is CJUQCEZPMNQPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O6/c1-12-3-4-5(9)6(10)7(13-2)8(11)14-4/h4-11H,3H2,1-2H3.
What are the key properties of 3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol?
3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol has a molecular weight of 208.21 g/mol, XLogP of -1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 6421426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).