[(2S,4R,5R)-4-benzoyloxy-5-methoxyoxolan-2-yl]methyl benzoate

C20H20O6 — CID 101010370

IUPAC[(2S,4R,5R)-4-benzoyloxy-5-methoxyoxolan-2-yl]methyl benzoate
SMILESCO[C@@H]1O[C@H](COC(=O)c2ccccc2)C[C@H]1OC(=O)c1ccccc1
InChIInChI=1S/C20H20O6/c1-23-20-17(26-19(22)15-10-6-3-7-11-15)12-16(25-20)13-24-18(21)14-8-4-2-5-9-14/h2-11,16-17,20H,12-13H2,1H3/t16-,17+,20+/m0/s1
InChIKeyAPDHEXOZIKRKSN-SQGPQFPESA-N
MW356.37 g/mol
LogP2.83
Rot. Bonds6

About [(2S,4R,5R)-4-benzoyloxy-5-methoxyoxolan-2-yl]methyl benzoate

[(2S,4R,5R)-4-benzoyloxy-5-methoxyoxolan-2-yl]methyl benzoate (PubChem CID 101010370) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is [(2S,4R,5R)-4-benzoyloxy-5-methoxyoxolan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2S,4R,5R)-4-benzoyloxy-5-methoxyoxolan-2-yl]methyl benzoate
PubChem CID101010370
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name[(2S,4R,5R)-4-benzoyloxy-5-methoxyoxolan-2-yl]methyl benzoate
SMILESCO[C@@H]1O[C@H](COC(=O)c2ccccc2)C[C@H]1OC(=O)c1ccccc1
InChIInChI=1S/C20H20O6/c1-23-20-17(26-19(22)15-10-6-3-7-11-15)12-16(25-20)13-24-18(21)14-8-4-2-5-9-14/h2-11,16-17,20H,12-13H2,1H3/t16-,17+,20+/m0/s1
InChIKeyAPDHEXOZIKRKSN-SQGPQFPESA-N
XLogP2.83
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S,4R,5R)-4-benzoyloxy-5-methoxyoxolan-2-yl]methyl benzoate 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,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-yl] benzoate
CID 178184680
[(2S,4S,5R,6R)-4,5-dibenzoyloxy-6-bromooxyoxan-2-yl]methyl benzoate
CID 67631238
[(1R,2S,4S,6R)-2-methoxy-3,7-dioxabicyclo[4.1.0]heptan-4-yl]methyl benzoate
CID 11242511
[(2S,4R,5R)-4-benzoyloxy-5-bromooxolan-2-yl]methyl benzoate
CID 70401992
(5-acetamido-6-acetyloxy-4-benzoyloxyoxan-2-yl)methyl benzoate
CID 71171088
[(2S,4R,5S)-4-hydroxy-5-methoxyoxolan-2-yl]methyl 4-phenylbenzoate
CID 67760613
[(2S,4R,6S)-4-benzoyloxy-6-methoxyoxan-2-yl]methyl benzoate
CID 10339119
[(4R,5R)-5-methoxy-4-methylsulfanylcarbothioyloxyoxolan-2-yl]methyl 4-methylbenzoate
CID 144905681
[(2S,4R,5S)-4-hydroxy-5-(2-methoxyethoxy)oxolan-2-yl]methyl benzoate
CID 70223432
[(2R,3R,4R,5R,6R)-3,4,5-tribenzoyloxy-6-methoxyoxan-2-yl]methyl benzoate
CID 100995738
[(2R,3S,4S,5S)-3-benzoyloxy-4-hydroxy-5-methoxyoxolan-2-yl]methyl benzoate
CID 101138455
[(2R,3S,4S,5R,6S)-4,5-dibenzoyloxy-3,6-dimethoxyoxan-2-yl]methyl benzoate
CID 67062974

Frequently Asked Questions

What is the IUPAC name of [(2S,4R,5R)-4-benzoyloxy-5-methoxyoxolan-2-yl]methyl benzoate?
The IUPAC name of [(2S,4R,5R)-4-benzoyloxy-5-methoxyoxolan-2-yl]methyl benzoate (CID 101010370) is [(2S,4R,5R)-4-benzoyloxy-5-methoxyoxolan-2-yl]methyl benzoate.
What is the SMILES notation for [(2S,4R,5R)-4-benzoyloxy-5-methoxyoxolan-2-yl]methyl benzoate?
The canonical SMILES for [(2S,4R,5R)-4-benzoyloxy-5-methoxyoxolan-2-yl]methyl benzoate is CO[C@@H]1O[C@H](COC(=O)c2ccccc2)C[C@H]1OC(=O)c1ccccc1.
What is the InChIKey of [(2S,4R,5R)-4-benzoyloxy-5-methoxyoxolan-2-yl]methyl benzoate?
The InChIKey is APDHEXOZIKRKSN-SQGPQFPESA-N. The full InChI is InChI=1S/C20H20O6/c1-23-20-17(26-19(22)15-10-6-3-7-11-15)12-16(25-20)13-24-18(21)14-8-4-2-5-9-14/h2-11,16-17,20H,12-13H2,1H3/t16-,17+,20+/m0/s1.
What are the key properties of [(2S,4R,5R)-4-benzoyloxy-5-methoxyoxolan-2-yl]methyl benzoate?
[(2S,4R,5R)-4-benzoyloxy-5-methoxyoxolan-2-yl]methyl benzoate has a molecular weight of 356.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,5R)-4-benzoyloxy-5-methoxyoxolan-2-yl]methyl benzoate is sourced from PubChem (CID 101010370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).