(2S,3S,4S,5R)-4-fluoro-5-(1-hydroxy-2-phenylethyl)-2-methoxyoxolan-3-ol

C13H17FO4 — CID 91529638

IUPAC(2S,3S,4S,5R)-4-fluoro-5-(1-hydroxy-2-phenylethyl)-2-methoxyoxolan-3-ol
SMILESCO[C@H]1O[C@H](C(O)Cc2ccccc2)[C@@H](F)[C@H]1O
InChIInChI=1S/C13H17FO4/c1-17-13-11(16)10(14)12(18-13)9(15)7-8-5-3-2-4-6-8/h2-6,9-13,15-16H,7H2,1H3/t9?,10-,11+,12+,13-/m0/s1
InChIKeyYMNUAEFTFJZPHR-WSNAZYMVSA-N
MW256.27 g/mol
LogP0.66
Rot. Bonds4

About (2S,3S,4S,5R)-4-fluoro-5-(1-hydroxy-2-phenylethyl)-2-methoxyoxolan-3-ol

(2S,3S,4S,5R)-4-fluoro-5-(1-hydroxy-2-phenylethyl)-2-methoxyoxolan-3-ol (PubChem CID 91529638) has the molecular formula C13H17FO4 and a molecular weight of 256.27 g/mol. Its IUPAC name is (2S,3S,4S,5R)-4-fluoro-5-(1-hydroxy-2-phenylethyl)-2-methoxyoxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,4S,5R)-4-fluoro-5-(1-hydroxy-2-phenylethyl)-2-methoxyoxolan-3-ol
PubChem CID91529638
Molecular FormulaC13H17FO4
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name(2S,3S,4S,5R)-4-fluoro-5-(1-hydroxy-2-phenylethyl)-2-methoxyoxolan-3-ol
SMILESCO[C@H]1O[C@H](C(O)Cc2ccccc2)[C@@H](F)[C@H]1O
InChIInChI=1S/C13H17FO4/c1-17-13-11(16)10(14)12(18-13)9(15)7-8-5-3-2-4-6-8/h2-6,9-13,15-16H,7H2,1H3/t9?,10-,11+,12+,13-/m0/s1
InChIKeyYMNUAEFTFJZPHR-WSNAZYMVSA-N
XLogP0.66
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Phenylacetaldehyde 2,3-butylene glycol acetal
CID 230525
Phenylethyl beta-D-glucopyranoside
CID 11289099
Phenylethyl primeveroside
CID 14704521
2-(Phenylmethyl)-1,3-dioxolane-4-methanol
CID 21895
2-(Hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triol
CID 468284
2-Phenylethyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
CID 11166301
Phenethyl 2-O-(beta-D-xylopyranosyl)-beta-D-glucopyranoside
CID 24121293
2-Phenylethyl beta-primeveroside
CID 131129
2-Phenylethyl D-glucopyranoside
CID 11044282
Phenethyl rutinoside
CID 14312558
Phenylethanol + Hex-Pen
CID 13893574
Sayaendoside
CID 10993414

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-4-fluoro-5-(1-hydroxy-2-phenylethyl)-2-methoxyoxolan-3-ol?
The IUPAC name of (2S,3S,4S,5R)-4-fluoro-5-(1-hydroxy-2-phenylethyl)-2-methoxyoxolan-3-ol (CID 91529638) is (2S,3S,4S,5R)-4-fluoro-5-(1-hydroxy-2-phenylethyl)-2-methoxyoxolan-3-ol.
What is the SMILES notation for (2S,3S,4S,5R)-4-fluoro-5-(1-hydroxy-2-phenylethyl)-2-methoxyoxolan-3-ol?
The canonical SMILES for (2S,3S,4S,5R)-4-fluoro-5-(1-hydroxy-2-phenylethyl)-2-methoxyoxolan-3-ol is CO[C@H]1O[C@H](C(O)Cc2ccccc2)[C@@H](F)[C@H]1O.
What is the InChIKey of (2S,3S,4S,5R)-4-fluoro-5-(1-hydroxy-2-phenylethyl)-2-methoxyoxolan-3-ol?
The InChIKey is YMNUAEFTFJZPHR-WSNAZYMVSA-N. The full InChI is InChI=1S/C13H17FO4/c1-17-13-11(16)10(14)12(18-13)9(15)7-8-5-3-2-4-6-8/h2-6,9-13,15-16H,7H2,1H3/t9?,10-,11+,12+,13-/m0/s1.
What are the key properties of (2S,3S,4S,5R)-4-fluoro-5-(1-hydroxy-2-phenylethyl)-2-methoxyoxolan-3-ol?
(2S,3S,4S,5R)-4-fluoro-5-(1-hydroxy-2-phenylethyl)-2-methoxyoxolan-3-ol has a molecular weight of 256.27 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-4-fluoro-5-(1-hydroxy-2-phenylethyl)-2-methoxyoxolan-3-ol is sourced from PubChem (CID 91529638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).