ethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-4-hydroxy-6-oxopyridine-2-carboxylate

C34H29NO11 — CID 54691685

IUPACethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-4-hydroxy-6-oxopyridine-2-carboxylate
SMILESCCOC(=O)c1cc(O)cc(=O)n1C1OC(COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1
InChIInChI=1S/C34H29NO11/c1-2-42-34(41)25-18-24(36)19-27(37)35(25)30-29(46-33(40)23-16-10-5-11-17-23)28(45-32(39)22-14-8-4-9-15-22)26(44-30)20-43-31(38)21-12-6-3-7-13-21/h3-19,26,28-30,36H,2,20H2,1H3
InChIKeyFVWZLJLVMJAHEZ-UHFFFAOYSA-N
MW627.60 g/mol
LogP3.94
Rot. Bonds10

About ethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-4-hydroxy-6-oxopyridine-2-carboxylate

ethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-4-hydroxy-6-oxopyridine-2-carboxylate (PubChem CID 54691685) has the molecular formula C34H29NO11 and a molecular weight of 627.60 g/mol. Its IUPAC name is ethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-4-hydroxy-6-oxopyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-4-hydroxy-6-oxopyridine-2-carboxylate
PubChem CID54691685
Molecular FormulaC34H29NO11
Molecular Weight627.60 g/mol
Exact Mass627.17
IUPAC Nameethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-4-hydroxy-6-oxopyridine-2-carboxylate
SMILESCCOC(=O)c1cc(O)cc(=O)n1C1OC(COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1
InChIInChI=1S/C34H29NO11/c1-2-42-34(41)25-18-24(36)19-27(37)35(25)30-29(46-33(40)23-16-10-5-11-17-23)28(45-32(39)22-14-8-4-9-15-22)26(44-30)20-43-31(38)21-12-6-3-7-13-21/h3-19,26,28-30,36H,2,20H2,1H3
InChIKeyFVWZLJLVMJAHEZ-UHFFFAOYSA-N
XLogP3.94
TPSA156.66 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.60
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-4-hydroxy-6-oxopyridine-2-carboxylate 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

[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(4-hydroxy-2-oxo-1-pyridinyl)oxolan-2-yl]methyl benzoate
CID 54684285
[(2S,3S,4S,5S)-3,4-dibenzoyloxy-5-(6-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
CID 12043203
[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
CID 11376313
[(2R,3S,4R,5R)-3,4-dibenzoyloxy-5-(4-ethoxy-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
CID 125033423
[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(4-ethoxytriazol-1-yl)oxolan-2-yl]methyl benzoate
CID 25098735
[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate
CID 59837284
ethyl 1-[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-6-fluoro-4-oxoquinoline-3-carboxylate
CID 10417132
[(2R,3S,4S,5R)-3,4-dibenzoyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
CID 124542873
[(2S,3R,4R,5R)-3,4-dibenzoyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
CID 7566421
[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(6,7-dimethyl-2,4-dioxo-1H-pteridin-3-yl)oxolan-2-yl]methyl benzoate
CID 134914535
[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(6,7-dimethyl-2,4-dioxopteridin-1-yl)oxolan-2-yl]methyl benzoate
CID 134914534
dimethyl 2-[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]triazole-4,5-dicarboxylate
CID 14505698

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-4-hydroxy-6-oxopyridine-2-carboxylate?
The IUPAC name of ethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-4-hydroxy-6-oxopyridine-2-carboxylate (CID 54691685) is ethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-4-hydroxy-6-oxopyridine-2-carboxylate.
What is the SMILES notation for ethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-4-hydroxy-6-oxopyridine-2-carboxylate?
The canonical SMILES for ethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-4-hydroxy-6-oxopyridine-2-carboxylate is CCOC(=O)c1cc(O)cc(=O)n1C1OC(COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1.
What is the InChIKey of ethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-4-hydroxy-6-oxopyridine-2-carboxylate?
The InChIKey is FVWZLJLVMJAHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29NO11/c1-2-42-34(41)25-18-24(36)19-27(37)35(25)30-29(46-33(40)23-16-10-5-11-17-23)28(45-32(39)22-14-8-4-9-15-22)26(44-30)20-43-31(38)21-12-6-3-7-13-21/h3-19,26,28-30,36H,2,20H2,1H3.
What are the key properties of ethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-4-hydroxy-6-oxopyridine-2-carboxylate?
ethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-4-hydroxy-6-oxopyridine-2-carboxylate has a molecular weight of 627.60 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-4-hydroxy-6-oxopyridine-2-carboxylate is sourced from PubChem (CID 54691685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).