[(2R,3S,4S,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]methyl benzoate

C26H21FO7 — CID 141197210

IUPAC[(2R,3S,4S,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]methyl benzoate
SMILESO=C(OC[C@H]1O[C@](O)(C(=O)c2ccccc2)[C@@H](F)[C@@]1(O)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21FO7/c27-24-25(31,21(28)17-10-4-1-5-11-17)20(16-33-23(30)19-14-8-3-9-15-19)34-26(24,32)22(29)18-12-6-2-7-13-18/h1-15,20,24,31-32H,16H2/t20-,24+,25+,26-/m1/s1
InChIKeyGGRDHCNJQDRROV-IFKAHUTRSA-N
MW464.45 g/mol
LogP2.77
Rot. Bonds7

About [(2R,3S,4S,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]methyl benzoate

[(2R,3S,4S,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]methyl benzoate (PubChem CID 141197210) has the molecular formula C26H21FO7 and a molecular weight of 464.45 g/mol. Its IUPAC name is [(2R,3S,4S,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2R,3S,4S,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]methyl benzoate
PubChem CID141197210
Molecular FormulaC26H21FO7
Molecular Weight464.45 g/mol
Exact Mass464.13
IUPAC Name[(2R,3S,4S,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]methyl benzoate
SMILESO=C(OC[C@H]1O[C@](O)(C(=O)c2ccccc2)[C@@H](F)[C@@]1(O)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21FO7/c27-24-25(31,21(28)17-10-4-1-5-11-17)20(16-33-23(30)19-14-8-3-9-15-19)34-26(24,32)22(29)18-12-6-2-7-13-18/h1-15,20,24,31-32H,16H2/t20-,24+,25+,26-/m1/s1
InChIKeyGGRDHCNJQDRROV-IFKAHUTRSA-N
XLogP2.77
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2R,3S,4S,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-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,4R)-3,4,5-trihydroxy-3-(trifluoromethyl)oxolan-2-yl]methyl benzoate
CID 174224819
[(2R,3R,4R,5S)-3,5-dibenzoyloxy-4,5-difluorooxolan-2-yl]methyl benzoate
CID 141214432
[(3R,4R,5S)-2,4-dibenzoyl-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-phenylmethanone
CID 54260233
[(2R,3R,4R)-3-(difluoromethyl)-3,4,5-trihydroxyoxolan-2-yl]methyl benzoate
CID 174224824
[(1R,2R,4R,5R)-1,5-dihydroxy-4-methoxy-3-oxabicyclo[3.1.0]hexan-2-yl]methyl benzoate
CID 22887290
[(1R,3S,4R,6R)-6-(benzoyloxymethyl)-2,5-dioxabicyclo[2.2.0]hexan-3-yl]methyl benzoate
CID 124525264
[3-(benzoyloxymethyl)oxiran-2-yl]methyl benzoate
CID 85086924
[(4R,5R)-5-(benzoyloxymethyl)-2-methoxy-1,3-dioxolan-4-yl]methyl benzoate
CID 10547255
[(2R,3S,4R,5S)-3-benzoyl-3,4-dihydroxy-5-[(4-methylphenyl)sulfonyloxymethyl]oxolan-2-yl]methyl benzoate
CID 141184462
[(2S,3S,4S)-5-acetyloxy-4-benzoyl-3-benzoyloxy-4-hydroxyoxolan-2-yl]methyl benzoate
CID 22896141
[2,2-bis(hydroxymethyl)cyclopropyl]methyl benzoate
CID 10823698
(3-fluoro-4-hydroxy-4-methyloxolan-2-yl)methyl benzoate
CID 123554530

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]methyl benzoate?
The IUPAC name of [(2R,3S,4S,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]methyl benzoate (CID 141197210) is [(2R,3S,4S,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]methyl benzoate.
What is the SMILES notation for [(2R,3S,4S,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]methyl benzoate?
The canonical SMILES for [(2R,3S,4S,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]methyl benzoate is O=C(OC[C@H]1O[C@](O)(C(=O)c2ccccc2)[C@@H](F)[C@@]1(O)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3S,4S,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]methyl benzoate?
The InChIKey is GGRDHCNJQDRROV-IFKAHUTRSA-N. The full InChI is InChI=1S/C26H21FO7/c27-24-25(31,21(28)17-10-4-1-5-11-17)20(16-33-23(30)19-14-8-3-9-15-19)34-26(24,32)22(29)18-12-6-2-7-13-18/h1-15,20,24,31-32H,16H2/t20-,24+,25+,26-/m1/s1.
What are the key properties of [(2R,3S,4S,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]methyl benzoate?
[(2R,3S,4S,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]methyl benzoate has a molecular weight of 464.45 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]methyl benzoate is sourced from PubChem (CID 141197210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).