1-[(2R,3S,4S,5S)-4-fluoro-3,5-dihydroxy-3,5-di(propanoyl)oxolan-2-yl]-1-hydroxybutan-2-one

C14H21FO7 — CID 141228861

IUPAC1-[(2R,3S,4S,5S)-4-fluoro-3,5-dihydroxy-3,5-di(propanoyl)oxolan-2-yl]-1-hydroxybutan-2-one
SMILESCCC(=O)C(O)[C@H]1O[C@@](O)(C(=O)CC)[C@@H](F)[C@@]1(O)C(=O)CC
InChIInChI=1S/C14H21FO7/c1-4-7(16)10(19)11-13(20,8(17)5-2)12(15)14(21,22-11)9(18)6-3/h10-12,19-21H,4-6H2,1-3H3/t10?,11-,12+,13-,14+/m1/s1
InChIKeyRDOVTIMJRFMFTD-YUSLTOFOSA-N
MW320.31 g/mol
LogP-0.56
Rot. Bonds7

About 1-[(2R,3S,4S,5S)-4-fluoro-3,5-dihydroxy-3,5-di(propanoyl)oxolan-2-yl]-1-hydroxybutan-2-one

1-[(2R,3S,4S,5S)-4-fluoro-3,5-dihydroxy-3,5-di(propanoyl)oxolan-2-yl]-1-hydroxybutan-2-one (PubChem CID 141228861) has the molecular formula C14H21FO7 and a molecular weight of 320.31 g/mol. Its IUPAC name is 1-[(2R,3S,4S,5S)-4-fluoro-3,5-dihydroxy-3,5-di(propanoyl)oxolan-2-yl]-1-hydroxybutan-2-one.

Molecular Properties

Compound Name1-[(2R,3S,4S,5S)-4-fluoro-3,5-dihydroxy-3,5-di(propanoyl)oxolan-2-yl]-1-hydroxybutan-2-one
PubChem CID141228861
Molecular FormulaC14H21FO7
Molecular Weight320.31 g/mol
Exact Mass320.13
IUPAC Name1-[(2R,3S,4S,5S)-4-fluoro-3,5-dihydroxy-3,5-di(propanoyl)oxolan-2-yl]-1-hydroxybutan-2-one
SMILESCCC(=O)C(O)[C@H]1O[C@@](O)(C(=O)CC)[C@@H](F)[C@@]1(O)C(=O)CC
InChIInChI=1S/C14H21FO7/c1-4-7(16)10(19)11-13(20,8(17)5-2)12(15)14(21,22-11)9(18)6-3/h10-12,19-21H,4-6H2,1-3H3/t10?,11-,12+,13-,14+/m1/s1
InChIKeyRDOVTIMJRFMFTD-YUSLTOFOSA-N
XLogP-0.56
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1,2,3,5-Tetraacetyl beta-d-ribofuranose
CID 22794422
Tetraacetyl-beta-D-ribofuranose
CID 53745933
Tetraacetyl-beta-d-glucose
CID 54104593
1,2,3,4,6-Pentaacetyl-alpha,beta-d-mannose
CID 67456962
1,2,3,4-Tetraacetyl--d-glucopyranose
CID 67839678
1,2,3,4,6-Pentaacetyl-beta-d-glucose
CID 69330657
1,2,3,4,6-Pentaacetyl beta-d-galactose
CID 70142544
1-hydroxy-1-[(2R,3R,4S)-3,4,5-triacetyl-3,4,5-trihydroxyoxolan-2-yl]propan-2-one
CID 70181294
Tetraacetylrhamnopyranose
CID 71150621
Tetraacetylhexose
CID 76100842
1-[(2R,3S,4S)-3,4,5-triacetyl-3,4,5-trihydroxy-2-(hydroxymethyl)oxolan-2-yl]ethanone
CID 129654166
Tetraacetyl-d-ribofuranose
CID 129715165

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,4S,5S)-4-fluoro-3,5-dihydroxy-3,5-di(propanoyl)oxolan-2-yl]-1-hydroxybutan-2-one?
The IUPAC name of 1-[(2R,3S,4S,5S)-4-fluoro-3,5-dihydroxy-3,5-di(propanoyl)oxolan-2-yl]-1-hydroxybutan-2-one (CID 141228861) is 1-[(2R,3S,4S,5S)-4-fluoro-3,5-dihydroxy-3,5-di(propanoyl)oxolan-2-yl]-1-hydroxybutan-2-one.
What is the SMILES notation for 1-[(2R,3S,4S,5S)-4-fluoro-3,5-dihydroxy-3,5-di(propanoyl)oxolan-2-yl]-1-hydroxybutan-2-one?
The canonical SMILES for 1-[(2R,3S,4S,5S)-4-fluoro-3,5-dihydroxy-3,5-di(propanoyl)oxolan-2-yl]-1-hydroxybutan-2-one is CCC(=O)C(O)[C@H]1O[C@@](O)(C(=O)CC)[C@@H](F)[C@@]1(O)C(=O)CC.
What is the InChIKey of 1-[(2R,3S,4S,5S)-4-fluoro-3,5-dihydroxy-3,5-di(propanoyl)oxolan-2-yl]-1-hydroxybutan-2-one?
The InChIKey is RDOVTIMJRFMFTD-YUSLTOFOSA-N. The full InChI is InChI=1S/C14H21FO7/c1-4-7(16)10(19)11-13(20,8(17)5-2)12(15)14(21,22-11)9(18)6-3/h10-12,19-21H,4-6H2,1-3H3/t10?,11-,12+,13-,14+/m1/s1.
What are the key properties of 1-[(2R,3S,4S,5S)-4-fluoro-3,5-dihydroxy-3,5-di(propanoyl)oxolan-2-yl]-1-hydroxybutan-2-one?
1-[(2R,3S,4S,5S)-4-fluoro-3,5-dihydroxy-3,5-di(propanoyl)oxolan-2-yl]-1-hydroxybutan-2-one has a molecular weight of 320.31 g/mol, XLogP of -0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,4S,5S)-4-fluoro-3,5-dihydroxy-3,5-di(propanoyl)oxolan-2-yl]-1-hydroxybutan-2-one is sourced from PubChem (CID 141228861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).