[(2S,4S,5S)-6-[(1S)-1-fluoro-3-hydroxypropyl]-3,4,5-trihydroxyoxan-2-yl] acetate

C10H17FO7 — CID 164809871

IUPAC[(2S,4S,5S)-6-[(1S)-1-fluoro-3-hydroxypropyl]-3,4,5-trihydroxyoxan-2-yl] acetate
SMILESCC(=O)O[C@@H]1OC([C@@H](F)CCO)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C10H17FO7/c1-4(13)17-10-8(16)6(14)7(15)9(18-10)5(11)2-3-12/h5-10,12,14-16H,2-3H2,1H3/t5-,6-,7-,8?,9?,10+/m0/s1
InChIKeyKARAOVMGEMDOSP-OQYFODQUSA-N
MW268.24 g/mol
LogP-1.92
Rot. Bonds4

About [(2S,4S,5S)-6-[(1S)-1-fluoro-3-hydroxypropyl]-3,4,5-trihydroxyoxan-2-yl] acetate

[(2S,4S,5S)-6-[(1S)-1-fluoro-3-hydroxypropyl]-3,4,5-trihydroxyoxan-2-yl] acetate (PubChem CID 164809871) has the molecular formula C10H17FO7 and a molecular weight of 268.24 g/mol. Its IUPAC name is [(2S,4S,5S)-6-[(1S)-1-fluoro-3-hydroxypropyl]-3,4,5-trihydroxyoxan-2-yl] acetate.

Molecular Properties

Compound Name[(2S,4S,5S)-6-[(1S)-1-fluoro-3-hydroxypropyl]-3,4,5-trihydroxyoxan-2-yl] acetate
PubChem CID164809871
Molecular FormulaC10H17FO7
Molecular Weight268.24 g/mol
Exact Mass268.10
IUPAC Name[(2S,4S,5S)-6-[(1S)-1-fluoro-3-hydroxypropyl]-3,4,5-trihydroxyoxan-2-yl] acetate
SMILESCC(=O)O[C@@H]1OC([C@@H](F)CCO)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C10H17FO7/c1-4(13)17-10-8(16)6(14)7(15)9(18-10)5(11)2-3-12/h5-10,12,14-16H,2-3H2,1H3/t5-,6-,7-,8?,9?,10+/m0/s1
InChIKeyKARAOVMGEMDOSP-OQYFODQUSA-N
XLogP-1.92
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 5-1.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [(2S,4S,5S)-6-[(1S)-1-fluoro-3-hydroxypropyl]-3,4,5-trihydroxyoxan-2-yl] acetate with MolForge

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Related Compounds

[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(1-hydroxy-2-oxopropyl)oxan-2-yl] acetate
CID 174406722
[(2S)-2-[(2S,3S,4S,5S)-6-acetyloxy-3,4,5-trihydroxyoxan-2-yl]-2-fluoroethyl] octadecanoate
CID 164787713
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate
CID 14859665
(3S,4S,6S)-6-acetyloxy-3,4,5-trihydroxyoxane-2-carboxylic acid;methane
CID 159269076
[(3R,5S)-6-acetyloxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
CID 121290489
[2-fluoro-2-[(2S,3S,4S,5S)-3,4,5,6-tetraacetyloxyoxan-2-yl]ethyl] acetate
CID 155091138
[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-deuterioacetate
CID 141299114
ethyl 4-hydroxy-2-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoate
CID 145183079
[(3R,4S,5R,6R)-2,3-diacetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] acetate
CID 70122725
[2-fluoro-2-[(2S,3S,4S,5S)-3,4,5-triacetyloxy-6-hydroxyoxan-2-yl]ethyl] acetate
CID 155091236
sodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride
CID 173327837
[(2R,3S,4R)-3,5-diacetyloxy-4-hydroxyoxolan-2-yl]methyl acetate
CID 141190412

Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5S)-6-[(1S)-1-fluoro-3-hydroxypropyl]-3,4,5-trihydroxyoxan-2-yl] acetate?
The IUPAC name of [(2S,4S,5S)-6-[(1S)-1-fluoro-3-hydroxypropyl]-3,4,5-trihydroxyoxan-2-yl] acetate (CID 164809871) is [(2S,4S,5S)-6-[(1S)-1-fluoro-3-hydroxypropyl]-3,4,5-trihydroxyoxan-2-yl] acetate.
What is the SMILES notation for [(2S,4S,5S)-6-[(1S)-1-fluoro-3-hydroxypropyl]-3,4,5-trihydroxyoxan-2-yl] acetate?
The canonical SMILES for [(2S,4S,5S)-6-[(1S)-1-fluoro-3-hydroxypropyl]-3,4,5-trihydroxyoxan-2-yl] acetate is CC(=O)O[C@@H]1OC([C@@H](F)CCO)[C@@H](O)[C@H](O)C1O.
What is the InChIKey of [(2S,4S,5S)-6-[(1S)-1-fluoro-3-hydroxypropyl]-3,4,5-trihydroxyoxan-2-yl] acetate?
The InChIKey is KARAOVMGEMDOSP-OQYFODQUSA-N. The full InChI is InChI=1S/C10H17FO7/c1-4(13)17-10-8(16)6(14)7(15)9(18-10)5(11)2-3-12/h5-10,12,14-16H,2-3H2,1H3/t5-,6-,7-,8?,9?,10+/m0/s1.
What are the key properties of [(2S,4S,5S)-6-[(1S)-1-fluoro-3-hydroxypropyl]-3,4,5-trihydroxyoxan-2-yl] acetate?
[(2S,4S,5S)-6-[(1S)-1-fluoro-3-hydroxypropyl]-3,4,5-trihydroxyoxan-2-yl] acetate has a molecular weight of 268.24 g/mol, XLogP of -1.92, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5S)-6-[(1S)-1-fluoro-3-hydroxypropyl]-3,4,5-trihydroxyoxan-2-yl] acetate is sourced from PubChem (CID 164809871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).