dimethyl (3S,4S)-3,4-dihydroxy-2-oxooxolane-3,4-dicarboxylate

C8H10O8 — CID 91989858

IUPACdimethyl (3S,4S)-3,4-dihydroxy-2-oxooxolane-3,4-dicarboxylate
SMILESCOC(=O)[C@]1(O)C(=O)OC[C@@]1(O)C(=O)OC
InChIInChI=1S/C8H10O8/c1-14-4(9)7(12)3-16-6(11)8(7,13)5(10)15-2/h12-13H,3H2,1-2H3/t7-,8+/m1/s1
InChIKeySWDMZXHWAPOUHP-SFYZADRCSA-N
MW234.16 g/mol
LogP-2.65
Rot. Bonds2

About dimethyl (3S,4S)-3,4-dihydroxy-2-oxooxolane-3,4-dicarboxylate

dimethyl (3S,4S)-3,4-dihydroxy-2-oxooxolane-3,4-dicarboxylate (PubChem CID 91989858) has the molecular formula C8H10O8 and a molecular weight of 234.16 g/mol. Its IUPAC name is dimethyl (3S,4S)-3,4-dihydroxy-2-oxooxolane-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3S,4S)-3,4-dihydroxy-2-oxooxolane-3,4-dicarboxylate
PubChem CID91989858
Molecular FormulaC8H10O8
Molecular Weight234.16 g/mol
Exact Mass234.04
IUPAC Namedimethyl (3S,4S)-3,4-dihydroxy-2-oxooxolane-3,4-dicarboxylate
SMILESCOC(=O)[C@]1(O)C(=O)OC[C@@]1(O)C(=O)OC
InChIInChI=1S/C8H10O8/c1-14-4(9)7(12)3-16-6(11)8(7,13)5(10)15-2/h12-13H,3H2,1-2H3/t7-,8+/m1/s1
InChIKeySWDMZXHWAPOUHP-SFYZADRCSA-N
XLogP-2.65
TPSA119.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 5-2.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze dimethyl (3S,4S)-3,4-dihydroxy-2-oxooxolane-3,4-dicarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

beta-Hydroxyparaconic Acid
CID 14778487
Methyl 3-hydroxyoxolane-3-carboxylate
CID 63333090
(R)-3-Hydroxy-5-oxotetrahydrofuran-3-carboxylic acid
CID 45084685
3-(Propan-2-yloxy)oxolane-3-carboxylic acid
CID 115014247
2-(Carboxymethoxy)-2-methylbutanedioic acid
CID 20390515
1,4,7,10,13,16-Hexaoxacyclooctadecane-2,2,3,3-tetracarboxylic acid
CID 22460250
1-O-ethyl 4-O-methyl 2-hydroxy-2-methylbutanedioate
CID 87717336
Succinic acid, 2,3-dimethyl-2-hydroxy-, dimethyl ester
CID 539495
Diethyl 2-hydroxy-2-methylbutanedioate
CID 12732541
1,1,2,2-Tetramethoxycarbonylethanol
CID 10901907
Diethyl 2-hydroxy-2-(1-oxopropan-2-yl)propanedioate
CID 11368256
Diethyl 2,3-dihydroxy-2,3-dimethylbutanedioate
CID 14110375

Frequently Asked Questions

What is the IUPAC name of dimethyl (3S,4S)-3,4-dihydroxy-2-oxooxolane-3,4-dicarboxylate?
The IUPAC name of dimethyl (3S,4S)-3,4-dihydroxy-2-oxooxolane-3,4-dicarboxylate (CID 91989858) is dimethyl (3S,4S)-3,4-dihydroxy-2-oxooxolane-3,4-dicarboxylate.
What is the SMILES notation for dimethyl (3S,4S)-3,4-dihydroxy-2-oxooxolane-3,4-dicarboxylate?
The canonical SMILES for dimethyl (3S,4S)-3,4-dihydroxy-2-oxooxolane-3,4-dicarboxylate is COC(=O)[C@]1(O)C(=O)OC[C@@]1(O)C(=O)OC.
What is the InChIKey of dimethyl (3S,4S)-3,4-dihydroxy-2-oxooxolane-3,4-dicarboxylate?
The InChIKey is SWDMZXHWAPOUHP-SFYZADRCSA-N. The full InChI is InChI=1S/C8H10O8/c1-14-4(9)7(12)3-16-6(11)8(7,13)5(10)15-2/h12-13H,3H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of dimethyl (3S,4S)-3,4-dihydroxy-2-oxooxolane-3,4-dicarboxylate?
dimethyl (3S,4S)-3,4-dihydroxy-2-oxooxolane-3,4-dicarboxylate has a molecular weight of 234.16 g/mol, XLogP of -2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3S,4S)-3,4-dihydroxy-2-oxooxolane-3,4-dicarboxylate is sourced from PubChem (CID 91989858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).