ethyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate

C8H10O7 — CID 54704415

IUPACethyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate
SMILESCCOC(=O)[C@H](O)[C@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C8H10O7/c1-2-14-7(12)5(11)6-3(9)4(10)8(13)15-6/h5-6,9-11H,2H2,1H3/t5-,6+/m1/s1
InChIKeyOXFYSKSQJRMLKU-RITPCOANSA-N
MW218.16 g/mol
LogP-0.84
Rot. Bonds3

About ethyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate

ethyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate (PubChem CID 54704415) has the molecular formula C8H10O7 and a molecular weight of 218.16 g/mol. Its IUPAC name is ethyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate
PubChem CID54704415
Molecular FormulaC8H10O7
Molecular Weight218.16 g/mol
Exact Mass218.04
IUPAC Nameethyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate
SMILESCCOC(=O)[C@H](O)[C@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C8H10O7/c1-2-14-7(12)5(11)6-3(9)4(10)8(13)15-6/h5-6,9-11H,2H2,1H3/t5-,6+/m1/s1
InChIKeyOXFYSKSQJRMLKU-RITPCOANSA-N
XLogP-0.84
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate?
The IUPAC name of ethyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate (CID 54704415) is ethyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate.
What is the SMILES notation for ethyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate?
The canonical SMILES for ethyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate is CCOC(=O)[C@H](O)[C@H]1OC(=O)C(O)=C1O.
What is the InChIKey of ethyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate?
The InChIKey is OXFYSKSQJRMLKU-RITPCOANSA-N. The full InChI is InChI=1S/C8H10O7/c1-2-14-7(12)5(11)6-3(9)4(10)8(13)15-6/h5-6,9-11H,2H2,1H3/t5-,6+/m1/s1.
What are the key properties of ethyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate?
ethyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate has a molecular weight of 218.16 g/mol, XLogP of -0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate is sourced from PubChem (CID 54704415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).