[(2R,3R,4S,5S)-3,4-diacetyloxy-5-(acetyloxymethyl)-5-fluorooxolan-2-yl]methyl acetate

C14H19FO9 — CID 14056938

IUPAC[(2R,3R,4S,5S)-3,4-diacetyloxy-5-(acetyloxymethyl)-5-fluorooxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@](F)(COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C14H19FO9/c1-7(16)20-5-11-12(22-9(3)18)13(23-10(4)19)14(15,24-11)6-21-8(2)17/h11-13H,5-6H2,1-4H3/t11-,12-,13+,14-/m1/s1
InChIKeyZQZCQUIEFQRNKC-YIYPIFLZSA-N
MW350.30 g/mol
LogP0.04
Rot. Bonds6

About [(2R,3R,4S,5S)-3,4-diacetyloxy-5-(acetyloxymethyl)-5-fluorooxolan-2-yl]methyl acetate

[(2R,3R,4S,5S)-3,4-diacetyloxy-5-(acetyloxymethyl)-5-fluorooxolan-2-yl]methyl acetate (PubChem CID 14056938) has the molecular formula C14H19FO9 and a molecular weight of 350.30 g/mol. Its IUPAC name is [(2R,3R,4S,5S)-3,4-diacetyloxy-5-(acetyloxymethyl)-5-fluorooxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5S)-3,4-diacetyloxy-5-(acetyloxymethyl)-5-fluorooxolan-2-yl]methyl acetate
PubChem CID14056938
Molecular FormulaC14H19FO9
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC Name[(2R,3R,4S,5S)-3,4-diacetyloxy-5-(acetyloxymethyl)-5-fluorooxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@](F)(COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C14H19FO9/c1-7(16)20-5-11-12(22-9(3)18)13(23-10(4)19)14(15,24-11)6-21-8(2)17/h11-13H,5-6H2,1-4H3/t11-,12-,13+,14-/m1/s1
InChIKeyZQZCQUIEFQRNKC-YIYPIFLZSA-N
XLogP0.04
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S)-3,4-diacetyloxy-5-(acetyloxymethyl)-5-fluorooxolan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4S,5S)-3,4-diacetyloxy-5-(acetyloxymethyl)-5-fluorooxolan-2-yl]methyl acetate (CID 14056938) is [(2R,3R,4S,5S)-3,4-diacetyloxy-5-(acetyloxymethyl)-5-fluorooxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4S,5S)-3,4-diacetyloxy-5-(acetyloxymethyl)-5-fluorooxolan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4S,5S)-3,4-diacetyloxy-5-(acetyloxymethyl)-5-fluorooxolan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@](F)(COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4S,5S)-3,4-diacetyloxy-5-(acetyloxymethyl)-5-fluorooxolan-2-yl]methyl acetate?
The InChIKey is ZQZCQUIEFQRNKC-YIYPIFLZSA-N. The full InChI is InChI=1S/C14H19FO9/c1-7(16)20-5-11-12(22-9(3)18)13(23-10(4)19)14(15,24-11)6-21-8(2)17/h11-13H,5-6H2,1-4H3/t11-,12-,13+,14-/m1/s1.
What are the key properties of [(2R,3R,4S,5S)-3,4-diacetyloxy-5-(acetyloxymethyl)-5-fluorooxolan-2-yl]methyl acetate?
[(2R,3R,4S,5S)-3,4-diacetyloxy-5-(acetyloxymethyl)-5-fluorooxolan-2-yl]methyl acetate has a molecular weight of 350.30 g/mol, XLogP of 0.04, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5S)-3,4-diacetyloxy-5-(acetyloxymethyl)-5-fluorooxolan-2-yl]methyl acetate is sourced from PubChem (CID 14056938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).