1-hydroxy-1-[(2R,3S,4R,5S,6S)-3,4,6-triacetyl-5-fluoro-3,4,6-trihydroxyoxan-2-yl]propan-2-one

C14H19FO9 — CID 70123401

IUPAC1-hydroxy-1-[(2R,3S,4R,5S,6S)-3,4,6-triacetyl-5-fluoro-3,4,6-trihydroxyoxan-2-yl]propan-2-one
SMILESCC(=O)C(O)[C@H]1O[C@@](O)(C(C)=O)[C@@H](F)[C@](O)(C(C)=O)[C@]1(O)C(C)=O
InChIInChI=1S/C14H19FO9/c1-5(16)9(20)10-12(21,6(2)17)13(22,7(3)18)11(15)14(23,24-10)8(4)19/h9-11,20-23H,1-4H3/t9?,10-,11+,12+,13-,14+/m1/s1
InChIKeyGCZAZAOANRTKFW-VUYBJCLPSA-N
MW350.30 g/mol
LogP-2.41
Rot. Bonds5

About 1-hydroxy-1-[(2R,3S,4R,5S,6S)-3,4,6-triacetyl-5-fluoro-3,4,6-trihydroxyoxan-2-yl]propan-2-one

1-hydroxy-1-[(2R,3S,4R,5S,6S)-3,4,6-triacetyl-5-fluoro-3,4,6-trihydroxyoxan-2-yl]propan-2-one (PubChem CID 70123401) has the molecular formula C14H19FO9 and a molecular weight of 350.30 g/mol. Its IUPAC name is 1-hydroxy-1-[(2R,3S,4R,5S,6S)-3,4,6-triacetyl-5-fluoro-3,4,6-trihydroxyoxan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-hydroxy-1-[(2R,3S,4R,5S,6S)-3,4,6-triacetyl-5-fluoro-3,4,6-trihydroxyoxan-2-yl]propan-2-one
PubChem CID70123401
Molecular FormulaC14H19FO9
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC Name1-hydroxy-1-[(2R,3S,4R,5S,6S)-3,4,6-triacetyl-5-fluoro-3,4,6-trihydroxyoxan-2-yl]propan-2-one
SMILESCC(=O)C(O)[C@H]1O[C@@](O)(C(C)=O)[C@@H](F)[C@](O)(C(C)=O)[C@]1(O)C(C)=O
InChIInChI=1S/C14H19FO9/c1-5(16)9(20)10-12(21,6(2)17)13(22,7(3)18)11(15)14(23,24-10)8(4)19/h9-11,20-23H,1-4H3/t9?,10-,11+,12+,13-,14+/m1/s1
InChIKeyGCZAZAOANRTKFW-VUYBJCLPSA-N
XLogP-2.41
TPSA158.43 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 5-2.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 1-hydroxy-1-[(2R,3S,4R,5S,6S)-3,4,6-triacetyl-5-fluoro-3,4,6-trihydroxyoxan-2-yl]propan-2-one with MolForge

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Related Compounds

Tetraacetylmannose triflate
CID 129651759
Tetraacetyl mannose triflate
CID 129851303
[(2S,3R,4S,5R,6R)-3,4-diacetyl-2-acetyloxy-2-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
CID 91470236
2,3,4,6-Tetraacetyl-beta-d-glucopyranose
CID 18646882
1,2,3,5-Tetraacetyl beta-d-ribofuranose
CID 22794422
Tetraacetyl-beta-D-ribofuranose
CID 53745933
2-hydroxy-1-[(2S,3R,4R,5S)-3,4,5-triacetyl-3,4,5-trihydroxyoxan-2-yl]propan-1-one
CID 53931680
Tetraacetyl-beta-d-glucose
CID 54104593
[(4R,5S,6R,7R)-4,5-diacetyl-5,6,7,8-tetrahydroxy-2,3-dioxooctan-4-yl] acetate
CID 54227212
1,2,3,4,6-Pentaacetyl-alpha,beta-d-mannose
CID 67456962
2,3,4,6-Tetra-acetyl glucosyl bromide
CID 67562059
1,2,3,4-Tetraacetyl--d-glucopyranose
CID 67839678

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[(2R,3S,4R,5S,6S)-3,4,6-triacetyl-5-fluoro-3,4,6-trihydroxyoxan-2-yl]propan-2-one?
The IUPAC name of 1-hydroxy-1-[(2R,3S,4R,5S,6S)-3,4,6-triacetyl-5-fluoro-3,4,6-trihydroxyoxan-2-yl]propan-2-one (CID 70123401) is 1-hydroxy-1-[(2R,3S,4R,5S,6S)-3,4,6-triacetyl-5-fluoro-3,4,6-trihydroxyoxan-2-yl]propan-2-one.
What is the SMILES notation for 1-hydroxy-1-[(2R,3S,4R,5S,6S)-3,4,6-triacetyl-5-fluoro-3,4,6-trihydroxyoxan-2-yl]propan-2-one?
The canonical SMILES for 1-hydroxy-1-[(2R,3S,4R,5S,6S)-3,4,6-triacetyl-5-fluoro-3,4,6-trihydroxyoxan-2-yl]propan-2-one is CC(=O)C(O)[C@H]1O[C@@](O)(C(C)=O)[C@@H](F)[C@](O)(C(C)=O)[C@]1(O)C(C)=O.
What is the InChIKey of 1-hydroxy-1-[(2R,3S,4R,5S,6S)-3,4,6-triacetyl-5-fluoro-3,4,6-trihydroxyoxan-2-yl]propan-2-one?
The InChIKey is GCZAZAOANRTKFW-VUYBJCLPSA-N. The full InChI is InChI=1S/C14H19FO9/c1-5(16)9(20)10-12(21,6(2)17)13(22,7(3)18)11(15)14(23,24-10)8(4)19/h9-11,20-23H,1-4H3/t9?,10-,11+,12+,13-,14+/m1/s1.
What are the key properties of 1-hydroxy-1-[(2R,3S,4R,5S,6S)-3,4,6-triacetyl-5-fluoro-3,4,6-trihydroxyoxan-2-yl]propan-2-one?
1-hydroxy-1-[(2R,3S,4R,5S,6S)-3,4,6-triacetyl-5-fluoro-3,4,6-trihydroxyoxan-2-yl]propan-2-one has a molecular weight of 350.30 g/mol, XLogP of -2.41, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[(2R,3S,4R,5S,6S)-3,4,6-triacetyl-5-fluoro-3,4,6-trihydroxyoxan-2-yl]propan-2-one is sourced from PubChem (CID 70123401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).