[(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate

C34H32O7 — CID 101201663

IUPAC[(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate
SMILESO=C(OC[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccccc1
InChIInChI=1S/C34H32O7/c35-33(27-17-9-3-10-18-27)39-23-29-31(37-21-25-13-5-1-6-14-25)32(38-22-26-15-7-2-8-16-26)30(41-29)24-40-34(36)28-19-11-4-12-20-28/h1-20,29-32H,21-24H2/t29-,30-,31-,32-/m1/s1
InChIKeyOUAXINQGCHYISX-SEVDZJIVSA-N
MW552.62 g/mol
LogP5.64
Rot. Bonds12

About [(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate

[(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate (PubChem CID 101201663) has the molecular formula C34H32O7 and a molecular weight of 552.62 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate
PubChem CID101201663
Molecular FormulaC34H32O7
Molecular Weight552.62 g/mol
Exact Mass552.21
IUPAC Name[(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate
SMILESO=C(OC[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccccc1
InChIInChI=1S/C34H32O7/c35-33(27-17-9-3-10-18-27)39-23-29-31(37-21-25-13-5-1-6-14-25)32(38-22-26-15-7-2-8-16-26)30(41-29)24-40-34(36)28-19-11-4-12-20-28/h1-20,29-32H,21-24H2/t29-,30-,31-,32-/m1/s1
InChIKeyOUAXINQGCHYISX-SEVDZJIVSA-N
XLogP5.64
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.62
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-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,3S,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-3-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl benzoate
CID 71313933
[(2R,3R,4R)-4-fluoro-5-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl benzoate
CID 129152365
[(2R,3R,4S,5R)-5-[(2S,3S,4R,5R)-5-(benzoyloxymethyl)-2-methoxy-4-phenylmethoxyoxolan-3-yl]oxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate
CID 46895699
[(2S,3R,4S,5R,6R)-3,5,6-tribenzoyloxy-4-phenylmethoxyoxan-2-yl]methyl benzoate
CID 11490912
[(3S,4S,6R)-3-hydroxy-4,5,6-tris(phenylmethoxy)oxan-2-yl]methyl benzoate
CID 46783493
[(3S,4S,6R)-5-benzoyloxy-3,4-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methyl benzoate
CID 140546070
[(2R,3R,4S,5S,6R)-6-[(2R,3R,4S,5R,6S)-4,5-dibenzoyloxy-2-(benzoyloxymethyl)-6-phenylmethoxyoxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl benzoate
CID 101078946
[3-(benzoyloxymethyl)oxiran-2-yl]methyl benzoate
CID 85086924
[(2R,3R,4R)-6-oxo-3,4-bis(phenylmethoxy)oxan-2-yl]methyl benzoate
CID 102121862
[(2R,3S,4S,5R)-5-(1,3-dioxolan-2-yl)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl benzoate
CID 100977114
[(2R,3R,4S,5R)-5-octoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate
CID 101138475
[3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl benzoate
CID 14605865

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate?
The IUPAC name of [(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate (CID 101201663) is [(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate.
What is the SMILES notation for [(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate?
The canonical SMILES for [(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate is O=C(OC[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate?
The InChIKey is OUAXINQGCHYISX-SEVDZJIVSA-N. The full InChI is InChI=1S/C34H32O7/c35-33(27-17-9-3-10-18-27)39-23-29-31(37-21-25-13-5-1-6-14-25)32(38-22-26-15-7-2-8-16-26)30(41-29)24-40-34(36)28-19-11-4-12-20-28/h1-20,29-32H,21-24H2/t29-,30-,31-,32-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate?
[(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate has a molecular weight of 552.62 g/mol, XLogP of 5.64, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate is sourced from PubChem (CID 101201663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).