(4,5-dihydroxy-3-methoxyoxan-2-yl) acetate

C8H14O6 — CID 146954175

IUPAC(4,5-dihydroxy-3-methoxyoxan-2-yl) acetate
SMILESCOC1C(OC(C)=O)OCC(O)C1O
InChIInChI=1S/C8H14O6/c1-4(9)14-8-7(12-2)6(11)5(10)3-13-8/h5-8,10-11H,3H2,1-2H3
InChIKeyAJHOQPYSHNECHC-UHFFFAOYSA-N
MW206.19 g/mol
LogP-1.36
Rot. Bonds2

About (4,5-dihydroxy-3-methoxyoxan-2-yl) acetate

(4,5-dihydroxy-3-methoxyoxan-2-yl) acetate (PubChem CID 146954175) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is (4,5-dihydroxy-3-methoxyoxan-2-yl) acetate.

Molecular Properties

Compound Name(4,5-dihydroxy-3-methoxyoxan-2-yl) acetate
PubChem CID146954175
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name(4,5-dihydroxy-3-methoxyoxan-2-yl) acetate
SMILESCOC1C(OC(C)=O)OCC(O)C1O
InChIInChI=1S/C8H14O6/c1-4(9)14-8-7(12-2)6(11)5(10)3-13-8/h5-8,10-11H,3H2,1-2H3
InChIKeyAJHOQPYSHNECHC-UHFFFAOYSA-N
XLogP-1.36
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3R,4S,5S)-4,5-dihydroxy-2-methoxyoxan-3-yl] acetate
CID 14412088
[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl] acetate
CID 149251667
[(2S,3S,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl] acetate
CID 102251070
[(2R,3R,4S,5R)-2-acetyloxy-4,5-dimethoxyoxan-3-yl] acetate
CID 139499665
(4,5-dihydroxy-2-methyloxan-3-yl) acetate
CID 134971555
(2R,3R,4S)-2-methoxyoxolane-3,4-diol
CID 14443636
(2R,3S,4S)-2-methoxyoxolane-3,4-diol
CID 130831872
(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
CID 24802344
[(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate
CID 22212825
4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid
CID 58899199
[(3S,4S,5R,6S)-4,6-diacetyloxy-5-hydroxyoxan-3-yl] acetate
CID 11903840
[(3R,4S,5R,6R)-4,5,6-triacetyloxyoxan-3-yl] acetate
CID 12907258

Frequently Asked Questions

What is the IUPAC name of (4,5-dihydroxy-3-methoxyoxan-2-yl) acetate?
The IUPAC name of (4,5-dihydroxy-3-methoxyoxan-2-yl) acetate (CID 146954175) is (4,5-dihydroxy-3-methoxyoxan-2-yl) acetate.
What is the SMILES notation for (4,5-dihydroxy-3-methoxyoxan-2-yl) acetate?
The canonical SMILES for (4,5-dihydroxy-3-methoxyoxan-2-yl) acetate is COC1C(OC(C)=O)OCC(O)C1O.
What is the InChIKey of (4,5-dihydroxy-3-methoxyoxan-2-yl) acetate?
The InChIKey is AJHOQPYSHNECHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O6/c1-4(9)14-8-7(12-2)6(11)5(10)3-13-8/h5-8,10-11H,3H2,1-2H3.
What are the key properties of (4,5-dihydroxy-3-methoxyoxan-2-yl) acetate?
(4,5-dihydroxy-3-methoxyoxan-2-yl) acetate has a molecular weight of 206.19 g/mol, XLogP of -1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dihydroxy-3-methoxyoxan-2-yl) acetate is sourced from PubChem (CID 146954175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).