[(2R,3R,4S)-4-fluoro-5-methoxy-3-methoxycarbonyloxyoxolan-2-yl] acetate

C9H13FO7 — CID 175038417

IUPAC[(2R,3R,4S)-4-fluoro-5-methoxy-3-methoxycarbonyloxyoxolan-2-yl] acetate
SMILESCOC(=O)O[C@@H]1[C@@H](OC(C)=O)OC(OC)[C@H]1F
InChIInChI=1S/C9H13FO7/c1-4(11)15-8-6(16-9(12)14-3)5(10)7(13-2)17-8/h5-8H,1-3H3/t5-,6-,7?,8-/m0/s1
InChIKeyCDSHMKDNFIFZNN-LTFBUPNTSA-N
MW252.19 g/mol
LogP0.37
Rot. Bonds3

About [(2R,3R,4S)-4-fluoro-5-methoxy-3-methoxycarbonyloxyoxolan-2-yl] acetate

[(2R,3R,4S)-4-fluoro-5-methoxy-3-methoxycarbonyloxyoxolan-2-yl] acetate (PubChem CID 175038417) has the molecular formula C9H13FO7 and a molecular weight of 252.19 g/mol. Its IUPAC name is [(2R,3R,4S)-4-fluoro-5-methoxy-3-methoxycarbonyloxyoxolan-2-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4S)-4-fluoro-5-methoxy-3-methoxycarbonyloxyoxolan-2-yl] acetate
PubChem CID175038417
Molecular FormulaC9H13FO7
Molecular Weight252.19 g/mol
Exact Mass252.06
IUPAC Name[(2R,3R,4S)-4-fluoro-5-methoxy-3-methoxycarbonyloxyoxolan-2-yl] acetate
SMILESCOC(=O)O[C@@H]1[C@@H](OC(C)=O)OC(OC)[C@H]1F
InChIInChI=1S/C9H13FO7/c1-4(11)15-8-6(16-9(12)14-3)5(10)7(13-2)17-8/h5-8H,1-3H3/t5-,6-,7?,8-/m0/s1
InChIKeyCDSHMKDNFIFZNN-LTFBUPNTSA-N
XLogP0.37
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-4-fluoro-5-methoxy-3-methoxycarbonyloxyoxolan-2-yl] acetate?
The IUPAC name of [(2R,3R,4S)-4-fluoro-5-methoxy-3-methoxycarbonyloxyoxolan-2-yl] acetate (CID 175038417) is [(2R,3R,4S)-4-fluoro-5-methoxy-3-methoxycarbonyloxyoxolan-2-yl] acetate.
What is the SMILES notation for [(2R,3R,4S)-4-fluoro-5-methoxy-3-methoxycarbonyloxyoxolan-2-yl] acetate?
The canonical SMILES for [(2R,3R,4S)-4-fluoro-5-methoxy-3-methoxycarbonyloxyoxolan-2-yl] acetate is COC(=O)O[C@@H]1[C@@H](OC(C)=O)OC(OC)[C@H]1F.
What is the InChIKey of [(2R,3R,4S)-4-fluoro-5-methoxy-3-methoxycarbonyloxyoxolan-2-yl] acetate?
The InChIKey is CDSHMKDNFIFZNN-LTFBUPNTSA-N. The full InChI is InChI=1S/C9H13FO7/c1-4(11)15-8-6(16-9(12)14-3)5(10)7(13-2)17-8/h5-8H,1-3H3/t5-,6-,7?,8-/m0/s1.
What are the key properties of [(2R,3R,4S)-4-fluoro-5-methoxy-3-methoxycarbonyloxyoxolan-2-yl] acetate?
[(2R,3R,4S)-4-fluoro-5-methoxy-3-methoxycarbonyloxyoxolan-2-yl] acetate has a molecular weight of 252.19 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S)-4-fluoro-5-methoxy-3-methoxycarbonyloxyoxolan-2-yl] acetate is sourced from PubChem (CID 175038417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).