2-[(2R,3S,4R,5S)-3,5-dibenzoyl-4-fluoro-3,4,5-trihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone

C26H21FO8 — CID 23392864

IUPAC2-[(2R,3S,4R,5S)-3,5-dibenzoyl-4-fluoro-3,4,5-trihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone
SMILESO=C(c1ccccc1)C(O)[C@H]1O[C@@](O)(C(=O)c2ccccc2)[C@](O)(F)[C@@]1(O)C(=O)c1ccccc1
InChIInChI=1S/C26H21FO8/c27-26(34)24(32,21(30)17-12-6-2-7-13-17)23(20(29)19(28)16-10-4-1-5-11-16)35-25(26,33)22(31)18-14-8-3-9-15-18/h1-15,20,23,29,32-34H/t20?,23-,24-,25+,26+/m1/s1
InChIKeyHZDIMPMUPVPSRJ-XGIFGMBBSA-N
MW480.44 g/mol
LogP1.47
Rot. Bonds7

About 2-[(2R,3S,4R,5S)-3,5-dibenzoyl-4-fluoro-3,4,5-trihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone

2-[(2R,3S,4R,5S)-3,5-dibenzoyl-4-fluoro-3,4,5-trihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone (PubChem CID 23392864) has the molecular formula C26H21FO8 and a molecular weight of 480.44 g/mol. Its IUPAC name is 2-[(2R,3S,4R,5S)-3,5-dibenzoyl-4-fluoro-3,4,5-trihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone.

Molecular Properties

Compound Name2-[(2R,3S,4R,5S)-3,5-dibenzoyl-4-fluoro-3,4,5-trihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone
PubChem CID23392864
Molecular FormulaC26H21FO8
Molecular Weight480.44 g/mol
Exact Mass480.12
IUPAC Name2-[(2R,3S,4R,5S)-3,5-dibenzoyl-4-fluoro-3,4,5-trihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone
SMILESO=C(c1ccccc1)C(O)[C@H]1O[C@@](O)(C(=O)c2ccccc2)[C@](O)(F)[C@@]1(O)C(=O)c1ccccc1
InChIInChI=1S/C26H21FO8/c27-26(34)24(32,21(30)17-12-6-2-7-13-17)23(20(29)19(28)16-10-4-1-5-11-16)35-25(26,33)22(31)18-14-8-3-9-15-18/h1-15,20,23,29,32-34H/t20?,23-,24-,25+,26+/m1/s1
InChIKeyHZDIMPMUPVPSRJ-XGIFGMBBSA-N
XLogP1.47
TPSA141.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.44
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

[(2R,3R,4S)-5-benzoyl-3-benzoyloxy-4-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate
CID 123635569
(2-Fluorobenzoyl)-d-glucopyranuronic acid
CID 129674968
Tetrabenzoylglucose
CID 129628534
Dibenzoyl-glucose
CID 129639970
Benzoyl-ss-glucopyranose
CID 129650356
Tribenzoylribofuranosyl bromide
CID 129793538
Tribenzoyl-ribofuranose
CID 129793614
Benzoyl sucrose
CID 129847702
Benzoyl-beta-d-ribose
CID 141013818
Cinnamoyl sucrose
CID 141111032
1-Acetyl-2,3,5-tribenzoyl-ribose
CID 141290603
2-[(2S,3R,4S,5R)-3,5-dibenzoyl-4-fluoro-3,4,5-trihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone
CID 23392865

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S,4R,5S)-3,5-dibenzoyl-4-fluoro-3,4,5-trihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone?
The IUPAC name of 2-[(2R,3S,4R,5S)-3,5-dibenzoyl-4-fluoro-3,4,5-trihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone (CID 23392864) is 2-[(2R,3S,4R,5S)-3,5-dibenzoyl-4-fluoro-3,4,5-trihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone.
What is the SMILES notation for 2-[(2R,3S,4R,5S)-3,5-dibenzoyl-4-fluoro-3,4,5-trihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone?
The canonical SMILES for 2-[(2R,3S,4R,5S)-3,5-dibenzoyl-4-fluoro-3,4,5-trihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone is O=C(c1ccccc1)C(O)[C@H]1O[C@@](O)(C(=O)c2ccccc2)[C@](O)(F)[C@@]1(O)C(=O)c1ccccc1.
What is the InChIKey of 2-[(2R,3S,4R,5S)-3,5-dibenzoyl-4-fluoro-3,4,5-trihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone?
The InChIKey is HZDIMPMUPVPSRJ-XGIFGMBBSA-N. The full InChI is InChI=1S/C26H21FO8/c27-26(34)24(32,21(30)17-12-6-2-7-13-17)23(20(29)19(28)16-10-4-1-5-11-16)35-25(26,33)22(31)18-14-8-3-9-15-18/h1-15,20,23,29,32-34H/t20?,23-,24-,25+,26+/m1/s1.
What are the key properties of 2-[(2R,3S,4R,5S)-3,5-dibenzoyl-4-fluoro-3,4,5-trihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone?
2-[(2R,3S,4R,5S)-3,5-dibenzoyl-4-fluoro-3,4,5-trihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone has a molecular weight of 480.44 g/mol, XLogP of 1.47, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,4R,5S)-3,5-dibenzoyl-4-fluoro-3,4,5-trihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone is sourced from PubChem (CID 23392864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).