(2R,3R,5S,6R)-5-hydroxy-2-(hydroxymethyl)-3,6-dimethoxyoxan-4-one

C8H14O6 — CID 11356204

IUPAC(2R,3R,5S,6R)-5-hydroxy-2-(hydroxymethyl)-3,6-dimethoxyoxan-4-one
SMILESCO[C@@H]1O[C@H](CO)[C@@H](OC)C(=O)[C@H]1O
InChIInChI=1S/C8H14O6/c1-12-7-4(3-9)14-8(13-2)6(11)5(7)10/h4,6-9,11H,3H2,1-2H3/t4-,6-,7-,8-/m1/s1
InChIKeyJGBYQLGRJODSLH-XVFCMESISA-N
MW206.19 g/mol
LogP-1.71
Rot. Bonds3

About (2R,3R,5S,6R)-5-hydroxy-2-(hydroxymethyl)-3,6-dimethoxyoxan-4-one

(2R,3R,5S,6R)-5-hydroxy-2-(hydroxymethyl)-3,6-dimethoxyoxan-4-one (PubChem CID 11356204) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is (2R,3R,5S,6R)-5-hydroxy-2-(hydroxymethyl)-3,6-dimethoxyoxan-4-one.

Molecular Properties

Compound Name(2R,3R,5S,6R)-5-hydroxy-2-(hydroxymethyl)-3,6-dimethoxyoxan-4-one
PubChem CID11356204
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name(2R,3R,5S,6R)-5-hydroxy-2-(hydroxymethyl)-3,6-dimethoxyoxan-4-one
SMILESCO[C@@H]1O[C@H](CO)[C@@H](OC)C(=O)[C@H]1O
InChIInChI=1S/C8H14O6/c1-12-7-4(3-9)14-8(13-2)6(11)5(7)10/h4,6-9,11H,3H2,1-2H3/t4-,6-,7-,8-/m1/s1
InChIKeyJGBYQLGRJODSLH-XVFCMESISA-N
XLogP-1.71
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S,6R)-5-hydroxy-2-(hydroxymethyl)-3,6-dimethoxyoxan-4-one?
The IUPAC name of (2R,3R,5S,6R)-5-hydroxy-2-(hydroxymethyl)-3,6-dimethoxyoxan-4-one (CID 11356204) is (2R,3R,5S,6R)-5-hydroxy-2-(hydroxymethyl)-3,6-dimethoxyoxan-4-one.
What is the SMILES notation for (2R,3R,5S,6R)-5-hydroxy-2-(hydroxymethyl)-3,6-dimethoxyoxan-4-one?
The canonical SMILES for (2R,3R,5S,6R)-5-hydroxy-2-(hydroxymethyl)-3,6-dimethoxyoxan-4-one is CO[C@@H]1O[C@H](CO)[C@@H](OC)C(=O)[C@H]1O.
What is the InChIKey of (2R,3R,5S,6R)-5-hydroxy-2-(hydroxymethyl)-3,6-dimethoxyoxan-4-one?
The InChIKey is JGBYQLGRJODSLH-XVFCMESISA-N. The full InChI is InChI=1S/C8H14O6/c1-12-7-4(3-9)14-8(13-2)6(11)5(7)10/h4,6-9,11H,3H2,1-2H3/t4-,6-,7-,8-/m1/s1.
What are the key properties of (2R,3R,5S,6R)-5-hydroxy-2-(hydroxymethyl)-3,6-dimethoxyoxan-4-one?
(2R,3R,5S,6R)-5-hydroxy-2-(hydroxymethyl)-3,6-dimethoxyoxan-4-one has a molecular weight of 206.19 g/mol, XLogP of -1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S,6R)-5-hydroxy-2-(hydroxymethyl)-3,6-dimethoxyoxan-4-one is sourced from PubChem (CID 11356204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).