[(2R,3R,4R)-4-fluoro-5-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl benzoate

C19H19FO5 — CID 129152365

IUPAC[(2R,3R,4R)-4-fluoro-5-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl benzoate
SMILESO=C(OC[C@H]1OC(O)[C@H](F)[C@@H]1OCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H19FO5/c20-16-17(23-11-13-7-3-1-4-8-13)15(25-19(16)22)12-24-18(21)14-9-5-2-6-10-14/h1-10,15-17,19,22H,11-12H2/t15-,16-,17-,19?/m1/s1
InChIKeyBBMJKBYKPIUVPO-YIVKDGLNSA-N
MW346.35 g/mol
LogP2.48
Rot. Bonds6

About [(2R,3R,4R)-4-fluoro-5-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl benzoate

[(2R,3R,4R)-4-fluoro-5-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl benzoate (PubChem CID 129152365) has the molecular formula C19H19FO5 and a molecular weight of 346.35 g/mol. Its IUPAC name is [(2R,3R,4R)-4-fluoro-5-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2R,3R,4R)-4-fluoro-5-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl benzoate
PubChem CID129152365
Molecular FormulaC19H19FO5
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name[(2R,3R,4R)-4-fluoro-5-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl benzoate
SMILESO=C(OC[C@H]1OC(O)[C@H](F)[C@@H]1OCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H19FO5/c20-16-17(23-11-13-7-3-1-4-8-13)15(25-19(16)22)12-24-18(21)14-9-5-2-6-10-14/h1-10,15-17,19,22H,11-12H2/t15-,16-,17-,19?/m1/s1
InChIKeyBBMJKBYKPIUVPO-YIVKDGLNSA-N
XLogP2.48
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate
CID 101201663
[(2R,3R,4R)-3-fluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl 4-methylbenzoate
CID 171125171
[(3S,4S,6R)-3-hydroxy-4,5,6-tris(phenylmethoxy)oxan-2-yl]methyl benzoate
CID 46783493
[(2R,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]methyl benzoate
CID 175174191
[(2S,3R,4S,5R,6R)-3,5,6-tribenzoyloxy-4-phenylmethoxyoxan-2-yl]methyl benzoate
CID 11490912
[(2R,3R,4S)-4-benzoyloxy-3-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate
CID 126567775
[(2R,3S,4S,5R)-5-(1,3-dioxolan-2-yl)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl benzoate
CID 100977114
bis[[(2R,3R,4S)-4-fluoro-5-hydroxy-3-phenylmethoxycarbonyloxyoxolan-2-yl]methyl] carbonate
CID 118108955
[(2R,3S,4S,5R,6R)-3,5-dibenzoyloxy-6-hydroxy-4-[(4-methoxyphenyl)methoxy]oxan-2-yl]methyl benzoate
CID 171121872
[(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,3S,4S,5S)-3,4-dibenzoyloxy-5-hydroxyoxolan-2-yl]methyl benzoate
CID 69423691
[(2R,3R,4S)-3,4-dibenzoyloxy-5-hydroxyoxolan-2-yl]methyl benzoate
CID 54395944

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-4-fluoro-5-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl benzoate?
The IUPAC name of [(2R,3R,4R)-4-fluoro-5-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl benzoate (CID 129152365) is [(2R,3R,4R)-4-fluoro-5-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl benzoate.
What is the SMILES notation for [(2R,3R,4R)-4-fluoro-5-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl benzoate?
The canonical SMILES for [(2R,3R,4R)-4-fluoro-5-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl benzoate is O=C(OC[C@H]1OC(O)[C@H](F)[C@@H]1OCc1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3R,4R)-4-fluoro-5-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl benzoate?
The InChIKey is BBMJKBYKPIUVPO-YIVKDGLNSA-N. The full InChI is InChI=1S/C19H19FO5/c20-16-17(23-11-13-7-3-1-4-8-13)15(25-19(16)22)12-24-18(21)14-9-5-2-6-10-14/h1-10,15-17,19,22H,11-12H2/t15-,16-,17-,19?/m1/s1.
What are the key properties of [(2R,3R,4R)-4-fluoro-5-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl benzoate?
[(2R,3R,4R)-4-fluoro-5-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl benzoate has a molecular weight of 346.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-4-fluoro-5-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl benzoate is sourced from PubChem (CID 129152365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).