methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate

C9H16O6 — CID 67990824

IUPACmethyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate
SMILESCOC(=O)CC1CC(O)C(O)C(OC)O1
InChIInChI=1S/C9H16O6/c1-13-7(11)4-5-3-6(10)8(12)9(14-2)15-5/h5-6,8-10,12H,3-4H2,1-2H3
InChIKeyUUCFBAIQXDXDRN-UHFFFAOYSA-N
MW220.22 g/mol
LogP-0.97
Rot. Bonds3

About methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate

methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate (PubChem CID 67990824) has the molecular formula C9H16O6 and a molecular weight of 220.22 g/mol. Its IUPAC name is methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate
PubChem CID67990824
Molecular FormulaC9H16O6
Molecular Weight220.22 g/mol
Exact Mass220.09
IUPAC Namemethyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate
SMILESCOC(=O)CC1CC(O)C(O)C(OC)O1
InChIInChI=1S/C9H16O6/c1-13-7(11)4-5-3-6(10)8(12)9(14-2)15-5/h5-6,8-10,12H,3-4H2,1-2H3
InChIKeyUUCFBAIQXDXDRN-UHFFFAOYSA-N
XLogP-0.97
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate?
The IUPAC name of methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate (CID 67990824) is methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate.
What is the SMILES notation for methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate?
The canonical SMILES for methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate is COC(=O)CC1CC(O)C(O)C(OC)O1.
What is the InChIKey of methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate?
The InChIKey is UUCFBAIQXDXDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O6/c1-13-7(11)4-5-3-6(10)8(12)9(14-2)15-5/h5-6,8-10,12H,3-4H2,1-2H3.
What are the key properties of methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate?
methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate has a molecular weight of 220.22 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate is sourced from PubChem (CID 67990824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).