(3R,4R,5S)-3-fluoro-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-one

C12H13FO4 — CID 10955667

IUPAC(3R,4R,5S)-3-fluoro-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-one
SMILESO=C1O[C@@H](COCc2ccccc2)[C@@H](O)[C@H]1F
InChIInChI=1S/C12H13FO4/c13-10-11(14)9(17-12(10)15)7-16-6-8-4-2-1-3-5-8/h1-5,9-11,14H,6-7H2/t9-,10+,11+/m0/s1
InChIKeyGPCDBYPGJOBCNF-HBNTYKKESA-N
MW240.23 g/mol
LogP0.83
Rot. Bonds4

About (3R,4R,5S)-3-fluoro-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-one

(3R,4R,5S)-3-fluoro-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-one (PubChem CID 10955667) has the molecular formula C12H13FO4 and a molecular weight of 240.23 g/mol. Its IUPAC name is (3R,4R,5S)-3-fluoro-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(3R,4R,5S)-3-fluoro-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-one
PubChem CID10955667
Molecular FormulaC12H13FO4
Molecular Weight240.23 g/mol
Exact Mass240.08
IUPAC Name(3R,4R,5S)-3-fluoro-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-one
SMILESO=C1O[C@@H](COCc2ccccc2)[C@@H](O)[C@H]1F
InChIInChI=1S/C12H13FO4/c13-10-11(14)9(17-12(10)15)7-16-6-8-4-2-1-3-5-8/h1-5,9-11,14H,6-7H2/t9-,10+,11+/m0/s1
InChIKeyGPCDBYPGJOBCNF-HBNTYKKESA-N
XLogP0.83
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4Z)-4-heptylidene-2-(hydroxymethyl)-5-oxooxolan-2-yl]methyl benzoate
CID 44562011
3,6-Anhydro-2-deoxy-7-O-methyl-7-C-phenyl-D-glycero-D-ido-heptono-1,4-lactone
CID 139189252
(2S,3S,3aR,6aR)-3-hydroxy-2-[(S)-methoxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 155537138
Methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate
CID 45360157
(4R,5S,6S,7S,8R)-4,5-diethoxy-6,7-dihydroxy-8-phenyloxocan-2-one
CID 9840225
Goniofupyrone
CID 10106135
(-)-Etharvensin
CID 177414
methyl 3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate
CID 10061436
Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)-
CID 3050318
1,5-Pentanedioic Acid Monobenzyl Ester
CID 11053234
(S)-3-(Benzyloxy)-2-hydroxypropanoic acid
CID 12111893
Benzyl 5-hydroxypentanoate
CID 19788674

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-3-fluoro-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-one?
The IUPAC name of (3R,4R,5S)-3-fluoro-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-one (CID 10955667) is (3R,4R,5S)-3-fluoro-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-one.
What is the SMILES notation for (3R,4R,5S)-3-fluoro-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-one?
The canonical SMILES for (3R,4R,5S)-3-fluoro-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-one is O=C1O[C@@H](COCc2ccccc2)[C@@H](O)[C@H]1F.
What is the InChIKey of (3R,4R,5S)-3-fluoro-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-one?
The InChIKey is GPCDBYPGJOBCNF-HBNTYKKESA-N. The full InChI is InChI=1S/C12H13FO4/c13-10-11(14)9(17-12(10)15)7-16-6-8-4-2-1-3-5-8/h1-5,9-11,14H,6-7H2/t9-,10+,11+/m0/s1.
What are the key properties of (3R,4R,5S)-3-fluoro-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-one?
(3R,4R,5S)-3-fluoro-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-one has a molecular weight of 240.23 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-3-fluoro-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-one is sourced from PubChem (CID 10955667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).