[(2R,3R,4R,5S)-2,4-dibenzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl] hypofluorite

C26H21FO8 — CID 174859945

IUPAC[(2R,3R,4R,5S)-2,4-dibenzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl] hypofluorite
SMILESO=C(c1ccccc1)C(O)[C@@H]1O[C@](OF)(C(=O)c2ccccc2)[C@H](O)[C@]1(O)C(=O)c1ccccc1
InChIInChI=1S/C26H21FO8/c27-35-26(22(31)18-14-8-3-9-15-18)24(32)25(33,21(30)17-12-6-2-7-13-17)23(34-26)20(29)19(28)16-10-4-1-5-11-16/h1-15,20,23-24,29,32-33H/t20?,23-,24+,25-,26-/m0/s1
InChIKeyCLGHQQWOSIDFSV-HNSHEHMYSA-N
MW480.44 g/mol
LogP2.08
Rot. Bonds8

About [(2R,3R,4R,5S)-2,4-dibenzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl] hypofluorite

[(2R,3R,4R,5S)-2,4-dibenzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl] hypofluorite (PubChem CID 174859945) has the molecular formula C26H21FO8 and a molecular weight of 480.44 g/mol. Its IUPAC name is [(2R,3R,4R,5S)-2,4-dibenzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl] hypofluorite.

Molecular Properties

Compound Name[(2R,3R,4R,5S)-2,4-dibenzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl] hypofluorite
PubChem CID174859945
Molecular FormulaC26H21FO8
Molecular Weight480.44 g/mol
Exact Mass480.12
IUPAC Name[(2R,3R,4R,5S)-2,4-dibenzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl] hypofluorite
SMILESO=C(c1ccccc1)C(O)[C@@H]1O[C@](OF)(C(=O)c2ccccc2)[C@H](O)[C@]1(O)C(=O)c1ccccc1
InChIInChI=1S/C26H21FO8/c27-35-26(22(31)18-14-8-3-9-15-18)24(32)25(33,21(30)17-12-6-2-7-13-17)23(34-26)20(29)19(28)16-10-4-1-5-11-16/h1-15,20,23-24,29,32-33H/t20?,23-,24+,25-,26-/m0/s1
InChIKeyCLGHQQWOSIDFSV-HNSHEHMYSA-N
XLogP2.08
TPSA130.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.44
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

2-[(2R,3S,4S,5S,6S)-3,5-dibenzoyl-6-[(2R,3R,4S,5S,6S)-3,5-dibenzoyl-3,4,5-trihydroxy-2-(1-hydroxy-2-oxo-2-phenylethyl)-6-methoxyoxan-4-yl]-3,4,5-trihydroxyoxan-2-yl]-2-hydroxy-1-phenylethanone
CID 87703924
2-[(2R,3R,4S)-3,4-dibenzoyl-5-bromo-3,4,5-trihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone
CID 154221957
2-hydroxy-1-phenyl-2-[(2R,3R,4S,5R,6R)-3,4,5-tribenzoyl-6-bromo-3,4,5,6-tetrahydroxyoxan-2-yl]ethanone
CID 66757960
2-[(2R,3S,4R)-5-chloro-3,4,5-trihydroxy-3-(2-methylbenzoyl)oxolan-2-yl]-2-hydroxy-1-(2-methylphenyl)ethanone
CID 68625484
2-[(2R,3S,4R,5R)-3-acetyl-5-bromo-4-fluoro-3-hydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone
CID 57072530
2-[(2S,3S,5S)-3,5-dihydroxy-5-methyloxolan-2-yl]-2-hydroxy-1-phenylethanone
CID 90939565
2-[(2R,3R,4R)-3,4-dibenzoyl-3,4,6-trihydroxy-6-isothiocyanatooxan-2-yl]-2-hydroxy-1-phenylethanone
CID 18607430
[(2R,4S,5R)-3,3-difluoro-2,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-4-(naphthalene-2-carbonyl)oxolan-2-yl] methanesulfonate
CID 87360164
[(2R,3R,4R,5S)-2-(1,2-dihydroxyethyl)-3,4,5-trihydroxyoxolan-3-yl]-phenylmethanone
CID 174840639
[(1S,2R,3S,4S,5S,6R)-3,4-dibenzoyl-1,2,3,4,5,6-hexahydroxycyclohexyl]-phenylmethanone
CID 91441037
2-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-benzoyl-3,4-dihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone
CID 70210216
2-[(2R,3S,4R,5R)-3-benzoyl-5-(6-chloropurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone
CID 87813159

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5S)-2,4-dibenzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl] hypofluorite?
The IUPAC name of [(2R,3R,4R,5S)-2,4-dibenzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl] hypofluorite (CID 174859945) is [(2R,3R,4R,5S)-2,4-dibenzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl] hypofluorite.
What is the SMILES notation for [(2R,3R,4R,5S)-2,4-dibenzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl] hypofluorite?
The canonical SMILES for [(2R,3R,4R,5S)-2,4-dibenzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl] hypofluorite is O=C(c1ccccc1)C(O)[C@@H]1O[C@](OF)(C(=O)c2ccccc2)[C@H](O)[C@]1(O)C(=O)c1ccccc1.
What is the InChIKey of [(2R,3R,4R,5S)-2,4-dibenzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl] hypofluorite?
The InChIKey is CLGHQQWOSIDFSV-HNSHEHMYSA-N. The full InChI is InChI=1S/C26H21FO8/c27-35-26(22(31)18-14-8-3-9-15-18)24(32)25(33,21(30)17-12-6-2-7-13-17)23(34-26)20(29)19(28)16-10-4-1-5-11-16/h1-15,20,23-24,29,32-33H/t20?,23-,24+,25-,26-/m0/s1.
What are the key properties of [(2R,3R,4R,5S)-2,4-dibenzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl] hypofluorite?
[(2R,3R,4R,5S)-2,4-dibenzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl] hypofluorite has a molecular weight of 480.44 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5S)-2,4-dibenzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl] hypofluorite is sourced from PubChem (CID 174859945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).