[(4S)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate

C26H21FO7 — CID 59915156

IUPAC[(4S)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate
SMILESO=C(OCC1OC(OC(=O)c2ccccc2)[C@@H](F)C1OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21FO7/c27-21-22(33-24(29)18-12-6-2-7-13-18)20(16-31-23(28)17-10-4-1-5-11-17)32-26(21)34-25(30)19-14-8-3-9-15-19/h1-15,20-22,26H,16H2/t20?,21-,22?,26?/m0/s1
InChIKeyJOAHVPNLVYCSAN-XOSCFKQTSA-N
MW464.45 g/mol
LogP3.99
Rot. Bonds7

About [(4S)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate

[(4S)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate (PubChem CID 59915156) has the molecular formula C26H21FO7 and a molecular weight of 464.45 g/mol. Its IUPAC name is [(4S)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(4S)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate
PubChem CID59915156
Molecular FormulaC26H21FO7
Molecular Weight464.45 g/mol
Exact Mass464.13
IUPAC Name[(4S)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate
SMILESO=C(OCC1OC(OC(=O)c2ccccc2)[C@@H](F)C1OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21FO7/c27-21-22(33-24(29)18-12-6-2-7-13-18)20(16-31-23(28)17-10-4-1-5-11-17)32-26(21)34-25(30)19-14-8-3-9-15-19/h1-15,20-22,26H,16H2/t20?,21-,22?,26?/m0/s1
InChIKeyJOAHVPNLVYCSAN-XOSCFKQTSA-N
XLogP3.99
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

acetonitrile;(3,5-dibenzoyloxy-4-fluorooxolan-2-yl)methyl benzoate
CID 91544992
[(2R,3R,4S,5R)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl 4-methylbenzoate
CID 101019750
[(2S,3S,4S)-5-acetyloxy-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate
CID 70023780
[(2S,3R,4R,5R)-3,4,5-tribenzoyloxyoxolan-2-yl]methyl benzoate
CID 124525731
(3,4,5-tribenzoyloxyoxolan-2-yl)methyl benzoate
CID 11979358
[(2R,3R,4S,5R)-3,5-dibenzoyloxy-4-chlorooxolan-2-yl]methyl benzoate
CID 69166995
[(2S,3S,4S,5S)-3,5-dibenzoyloxy-4-chlorooxolan-2-yl]methyl benzoate
CID 69166994
[(2R,3R,4R,5R)-3,4,5,6-tetrabenzoyloxyoxan-2-yl]methyl benzoate
CID 163335544
[(2S,3S,4R,5S,6S)-3,4,5,6-tetrabenzoyloxyoxan-2-yl]methyl benzoate
CID 124523751
[(2R,3R,4S,5R)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate
CID 170213383
[(2S,3S,4R,5S)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate
CID 58741926
(3,6-dibenzoyloxy-4,5-dimethyloxan-2-yl)methyl benzoate
CID 160727114

Frequently Asked Questions

What is the IUPAC name of [(4S)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate?
The IUPAC name of [(4S)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate (CID 59915156) is [(4S)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate.
What is the SMILES notation for [(4S)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate?
The canonical SMILES for [(4S)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate is O=C(OCC1OC(OC(=O)c2ccccc2)[C@@H](F)C1OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(4S)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate?
The InChIKey is JOAHVPNLVYCSAN-XOSCFKQTSA-N. The full InChI is InChI=1S/C26H21FO7/c27-21-22(33-24(29)18-12-6-2-7-13-18)20(16-31-23(28)17-10-4-1-5-11-17)32-26(21)34-25(30)19-14-8-3-9-15-19/h1-15,20-22,26H,16H2/t20?,21-,22?,26?/m0/s1.
What are the key properties of [(4S)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate?
[(4S)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate has a molecular weight of 464.45 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate is sourced from PubChem (CID 59915156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).