[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate

C11H16O7 — CID 54728363

IUPAC[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C11H16O7/c1-11(2,3)10(16)17-4-5(12)8-6(13)7(14)9(15)18-8/h5,8,12-14H,4H2,1-3H3/t5-,8+/m0/s1
InChIKeyAKOKUCKINKDKSP-YLWLKBPMSA-N
MW260.24 g/mol
LogP0.19
Rot. Bonds3

About [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate

[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate (PubChem CID 54728363) has the molecular formula C11H16O7 and a molecular weight of 260.24 g/mol. Its IUPAC name is [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate
PubChem CID54728363
Molecular FormulaC11H16O7
Molecular Weight260.24 g/mol
Exact Mass260.09
IUPAC Name[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C11H16O7/c1-11(2,3)10(16)17-4-5(12)8-6(13)7(14)9(15)18-8/h5,8,12-14H,4H2,1-3H3/t5-,8+/m0/s1
InChIKeyAKOKUCKINKDKSP-YLWLKBPMSA-N
XLogP0.19
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate 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 [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate (CID 54728363) is [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O.
What is the InChIKey of [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate?
The InChIKey is AKOKUCKINKDKSP-YLWLKBPMSA-N. The full InChI is InChI=1S/C11H16O7/c1-11(2,3)10(16)17-4-5(12)8-6(13)7(14)9(15)18-8/h5,8,12-14H,4H2,1-3H3/t5-,8+/m0/s1.
What are the key properties of [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate?
[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate has a molecular weight of 260.24 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 54728363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).