[(3R,4R)-4-benzoyloxy-2,5-dioxooxolan-3-yl] benzoate

C18H12O7 — CID 2733743

IUPAC[(3R,4R)-4-benzoyloxy-2,5-dioxooxolan-3-yl] benzoate
SMILESO=C(O[C@H]1C(=O)OC(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H12O7/c19-15(11-7-3-1-4-8-11)23-13-14(18(22)25-17(13)21)24-16(20)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14-/m1/s1
InChIKeyOXIKRMSPXYQFOT-ZIAGYGMSSA-N
MW340.29 g/mol
LogP1.52
Rot. Bonds4

About [(3R,4R)-4-benzoyloxy-2,5-dioxooxolan-3-yl] benzoate

[(3R,4R)-4-benzoyloxy-2,5-dioxooxolan-3-yl] benzoate (PubChem CID 2733743) has the molecular formula C18H12O7 and a molecular weight of 340.29 g/mol. Its IUPAC name is [(3R,4R)-4-benzoyloxy-2,5-dioxooxolan-3-yl] benzoate.

Molecular Properties

Compound Name[(3R,4R)-4-benzoyloxy-2,5-dioxooxolan-3-yl] benzoate
PubChem CID2733743
Molecular FormulaC18H12O7
Molecular Weight340.29 g/mol
Exact Mass340.06
IUPAC Name[(3R,4R)-4-benzoyloxy-2,5-dioxooxolan-3-yl] benzoate
SMILESO=C(O[C@H]1C(=O)OC(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H12O7/c19-15(11-7-3-1-4-8-11)23-13-14(18(22)25-17(13)21)24-16(20)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14-/m1/s1
InChIKeyOXIKRMSPXYQFOT-ZIAGYGMSSA-N
XLogP1.52
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(3R,4R)-4-benzoyloxy-2,5-dioxooxolan-3-yl] benzoate 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 [(3R,4R)-4-benzoyloxy-2,5-dioxooxolan-3-yl] benzoate?
The IUPAC name of [(3R,4R)-4-benzoyloxy-2,5-dioxooxolan-3-yl] benzoate (CID 2733743) is [(3R,4R)-4-benzoyloxy-2,5-dioxooxolan-3-yl] benzoate.
What is the SMILES notation for [(3R,4R)-4-benzoyloxy-2,5-dioxooxolan-3-yl] benzoate?
The canonical SMILES for [(3R,4R)-4-benzoyloxy-2,5-dioxooxolan-3-yl] benzoate is O=C(O[C@H]1C(=O)OC(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(3R,4R)-4-benzoyloxy-2,5-dioxooxolan-3-yl] benzoate?
The InChIKey is OXIKRMSPXYQFOT-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H12O7/c19-15(11-7-3-1-4-8-11)23-13-14(18(22)25-17(13)21)24-16(20)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14-/m1/s1.
What are the key properties of [(3R,4R)-4-benzoyloxy-2,5-dioxooxolan-3-yl] benzoate?
[(3R,4R)-4-benzoyloxy-2,5-dioxooxolan-3-yl] benzoate has a molecular weight of 340.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-benzoyloxy-2,5-dioxooxolan-3-yl] benzoate is sourced from PubChem (CID 2733743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).