[(2R)-2-acetyloxy-2-[(2S,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]ethyl] acetate

C10H15FO7 — CID 101122360

IUPAC[(2R)-2-acetyloxy-2-[(2S,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]ethyl] acetate
SMILESCC(=O)OC[C@@H](OC(C)=O)[C@@H]1OC(O)[C@H](O)[C@H]1F
InChIInChI=1S/C10H15FO7/c1-4(12)16-3-6(17-5(2)13)9-7(11)8(14)10(15)18-9/h6-10,14-15H,3H2,1-2H3/t6-,7-,8-,9+,10?/m1/s1
InChIKeyACIKSOKRZRLZAM-NZDCWBGLSA-N
MW266.22 g/mol
LogP-1.10
Rot. Bonds4

About [(2R)-2-acetyloxy-2-[(2S,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]ethyl] acetate

[(2R)-2-acetyloxy-2-[(2S,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]ethyl] acetate (PubChem CID 101122360) has the molecular formula C10H15FO7 and a molecular weight of 266.22 g/mol. Its IUPAC name is [(2R)-2-acetyloxy-2-[(2S,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]ethyl] acetate.

Molecular Properties

Compound Name[(2R)-2-acetyloxy-2-[(2S,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]ethyl] acetate
PubChem CID101122360
Molecular FormulaC10H15FO7
Molecular Weight266.22 g/mol
Exact Mass266.08
IUPAC Name[(2R)-2-acetyloxy-2-[(2S,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]ethyl] acetate
SMILESCC(=O)OC[C@@H](OC(C)=O)[C@@H]1OC(O)[C@H](O)[C@H]1F
InChIInChI=1S/C10H15FO7/c1-4(12)16-3-6(17-5(2)13)9-7(11)8(14)10(15)18-9/h6-10,14-15H,3H2,1-2H3/t6-,7-,8-,9+,10?/m1/s1
InChIKeyACIKSOKRZRLZAM-NZDCWBGLSA-N
XLogP-1.10
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2R)-2-acetyloxy-2-[(2S,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]ethyl] acetate with MolForge

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Related Compounds

6-acetyl-D-glucose
CID 439780
GlyTouCan:G63996AI
CID 11152232
6-O-Acetyl-I+--D-glucopyranose
CID 10443517
alpha-D-Glucopyranose, 2-acetate
CID 14859670
GlyTouCan:G29583YI
CID 44473138
GlyTouCan:G44473GG
CID 315762
GlyTouCan:G67997IV
CID 10641435
beta-D-Glucopyranose, 2,3,4,6-tetraacetate
CID 11013485
2,3,4,6-Tetra-O-acetyl-D-mannopyranose
CID 11759823
6-O-Acetylglucose
CID 536270
GlyTouCan:G16989IY
CID 445012
GlyTouCan:G45074XP
CID 102068250

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-acetyloxy-2-[(2S,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]ethyl] acetate?
The IUPAC name of [(2R)-2-acetyloxy-2-[(2S,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]ethyl] acetate (CID 101122360) is [(2R)-2-acetyloxy-2-[(2S,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]ethyl] acetate.
What is the SMILES notation for [(2R)-2-acetyloxy-2-[(2S,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]ethyl] acetate?
The canonical SMILES for [(2R)-2-acetyloxy-2-[(2S,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]ethyl] acetate is CC(=O)OC[C@@H](OC(C)=O)[C@@H]1OC(O)[C@H](O)[C@H]1F.
What is the InChIKey of [(2R)-2-acetyloxy-2-[(2S,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]ethyl] acetate?
The InChIKey is ACIKSOKRZRLZAM-NZDCWBGLSA-N. The full InChI is InChI=1S/C10H15FO7/c1-4(12)16-3-6(17-5(2)13)9-7(11)8(14)10(15)18-9/h6-10,14-15H,3H2,1-2H3/t6-,7-,8-,9+,10?/m1/s1.
What are the key properties of [(2R)-2-acetyloxy-2-[(2S,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]ethyl] acetate?
[(2R)-2-acetyloxy-2-[(2S,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]ethyl] acetate has a molecular weight of 266.22 g/mol, XLogP of -1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-acetyloxy-2-[(2S,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]ethyl] acetate is sourced from PubChem (CID 101122360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).