methyl 2-[(2S)-4-hydroxy-3-methoxy-5-oxo-2H-furan-2-yl]acetate

C8H10O6 — CID 135037274

IUPACmethyl 2-[(2S)-4-hydroxy-3-methoxy-5-oxo-2H-furan-2-yl]acetate
SMILESCOC(=O)C[C@@H]1OC(=O)C(O)=C1OC
InChIInChI=1S/C8H10O6/c1-12-5(9)3-4-7(13-2)6(10)8(11)14-4/h4,10H,3H2,1-2H3/t4-/m0/s1
InChIKeyGAZYKOFNDQHYRB-BYPYZUCNSA-N
MW202.16 g/mol
LogP-0.11
Rot. Bonds3

About methyl 2-[(2S)-4-hydroxy-3-methoxy-5-oxo-2H-furan-2-yl]acetate

methyl 2-[(2S)-4-hydroxy-3-methoxy-5-oxo-2H-furan-2-yl]acetate (PubChem CID 135037274) has the molecular formula C8H10O6 and a molecular weight of 202.16 g/mol. Its IUPAC name is methyl 2-[(2S)-4-hydroxy-3-methoxy-5-oxo-2H-furan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-4-hydroxy-3-methoxy-5-oxo-2H-furan-2-yl]acetate
PubChem CID135037274
Molecular FormulaC8H10O6
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC Namemethyl 2-[(2S)-4-hydroxy-3-methoxy-5-oxo-2H-furan-2-yl]acetate
SMILESCOC(=O)C[C@@H]1OC(=O)C(O)=C1OC
InChIInChI=1S/C8H10O6/c1-12-5(9)3-4-7(13-2)6(10)8(11)14-4/h4,10H,3H2,1-2H3/t4-/m0/s1
InChIKeyGAZYKOFNDQHYRB-BYPYZUCNSA-N
XLogP-0.11
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-O-Ethylascorbic acid
CID 150736
2-O-Ethyl ascorbic acid
CID 54694369
2-(1,2-dihydroxyethyl)-3,4-dimethoxy-2H-furan-5-one
CID 315264
2-(1,2-dihydroxyethyl)-3-ethoxy-4-hydroxy-2H-furan-5-one
CID 3614716
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dimethoxy-2H-furan-5-one
CID 6995625
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one
CID 11805516
2-(1,2-dihydroxyethyl)-4-hydroxy-3-methoxy-2H-furan-5-one
CID 22105235
[2-acetyloxy-2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)ethyl] acetate
CID 54687316
[2-(3,4-dimethoxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] acetate
CID 44292339
[2-(3,4-dimethoxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] butanoate
CID 44292411
[2-(3,4-dimethoxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] propanoate
CID 44292425
3-O-Methylascorbic acid
CID 3082037

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-4-hydroxy-3-methoxy-5-oxo-2H-furan-2-yl]acetate?
The IUPAC name of methyl 2-[(2S)-4-hydroxy-3-methoxy-5-oxo-2H-furan-2-yl]acetate (CID 135037274) is methyl 2-[(2S)-4-hydroxy-3-methoxy-5-oxo-2H-furan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-4-hydroxy-3-methoxy-5-oxo-2H-furan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-4-hydroxy-3-methoxy-5-oxo-2H-furan-2-yl]acetate is COC(=O)C[C@@H]1OC(=O)C(O)=C1OC.
What is the InChIKey of methyl 2-[(2S)-4-hydroxy-3-methoxy-5-oxo-2H-furan-2-yl]acetate?
The InChIKey is GAZYKOFNDQHYRB-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H10O6/c1-12-5(9)3-4-7(13-2)6(10)8(11)14-4/h4,10H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of methyl 2-[(2S)-4-hydroxy-3-methoxy-5-oxo-2H-furan-2-yl]acetate?
methyl 2-[(2S)-4-hydroxy-3-methoxy-5-oxo-2H-furan-2-yl]acetate has a molecular weight of 202.16 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-4-hydroxy-3-methoxy-5-oxo-2H-furan-2-yl]acetate is sourced from PubChem (CID 135037274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).