(2R,3R,4S,5S)-4-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol

C13H17FO4 — CID 11832029

IUPAC(2R,3R,4S,5S)-4-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
SMILESCO[C@H]1O[C@H](COCc2ccccc2)[C@@H](O)[C@@H]1F
InChIInChI=1S/C13H17FO4/c1-16-13-11(14)12(15)10(18-13)8-17-7-9-5-3-2-4-6-9/h2-6,10-13,15H,7-8H2,1H3/t10-,11+,12-,13+/m1/s1
InChIKeySSSHIHUZHYLSHL-XQHKEYJVSA-N
MW256.27 g/mol
LogP1.27
Rot. Bonds5

About (2R,3R,4S,5S)-4-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol

(2R,3R,4S,5S)-4-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol (PubChem CID 11832029) has the molecular formula C13H17FO4 and a molecular weight of 256.27 g/mol. Its IUPAC name is (2R,3R,4S,5S)-4-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-4-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
PubChem CID11832029
Molecular FormulaC13H17FO4
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name(2R,3R,4S,5S)-4-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
SMILESCO[C@H]1O[C@H](COCc2ccccc2)[C@@H](O)[C@@H]1F
InChIInChI=1S/C13H17FO4/c1-16-13-11(14)12(15)10(18-13)8-17-7-9-5-3-2-4-6-9/h2-6,10-13,15H,7-8H2,1H3/t10-,11+,12-,13+/m1/s1
InChIKeySSSHIHUZHYLSHL-XQHKEYJVSA-N
XLogP1.27
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-4-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,4S,5S)-4-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol (CID 11832029) is (2R,3R,4S,5S)-4-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,4S,5S)-4-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,4S,5S)-4-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol is CO[C@H]1O[C@H](COCc2ccccc2)[C@@H](O)[C@@H]1F.
What is the InChIKey of (2R,3R,4S,5S)-4-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol?
The InChIKey is SSSHIHUZHYLSHL-XQHKEYJVSA-N. The full InChI is InChI=1S/C13H17FO4/c1-16-13-11(14)12(15)10(18-13)8-17-7-9-5-3-2-4-6-9/h2-6,10-13,15H,7-8H2,1H3/t10-,11+,12-,13+/m1/s1.
What are the key properties of (2R,3R,4S,5S)-4-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol?
(2R,3R,4S,5S)-4-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol has a molecular weight of 256.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-4-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol is sourced from PubChem (CID 11832029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).