[(2R,3S,4S,5R,6R)-2-acetyl-3,5-diacetyloxy-6-fluoro-2-(hydroxymethyl)oxan-4-yl] acetate

C14H19FO9 — CID 66808929

IUPAC[(2R,3S,4S,5R,6R)-2-acetyl-3,5-diacetyloxy-6-fluoro-2-(hydroxymethyl)oxan-4-yl] acetate
SMILESCC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@](CO)(C(C)=O)O[C@@H]1F
InChIInChI=1S/C14H19FO9/c1-6(17)14(5-16)12(23-9(4)20)10(21-7(2)18)11(13(15)24-14)22-8(3)19/h10-13,16H,5H2,1-4H3/t10-,11-,12+,13+,14+/m1/s1
InChIKeyQVKIESIJTUMZMJ-DGTMBMJNSA-N
MW350.30 g/mol
LogP-0.57
Rot. Bonds5

About [(2R,3S,4S,5R,6R)-2-acetyl-3,5-diacetyloxy-6-fluoro-2-(hydroxymethyl)oxan-4-yl] acetate

[(2R,3S,4S,5R,6R)-2-acetyl-3,5-diacetyloxy-6-fluoro-2-(hydroxymethyl)oxan-4-yl] acetate (PubChem CID 66808929) has the molecular formula C14H19FO9 and a molecular weight of 350.30 g/mol. Its IUPAC name is [(2R,3S,4S,5R,6R)-2-acetyl-3,5-diacetyloxy-6-fluoro-2-(hydroxymethyl)oxan-4-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4S,5R,6R)-2-acetyl-3,5-diacetyloxy-6-fluoro-2-(hydroxymethyl)oxan-4-yl] acetate
PubChem CID66808929
Molecular FormulaC14H19FO9
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC Name[(2R,3S,4S,5R,6R)-2-acetyl-3,5-diacetyloxy-6-fluoro-2-(hydroxymethyl)oxan-4-yl] acetate
SMILESCC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@](CO)(C(C)=O)O[C@@H]1F
InChIInChI=1S/C14H19FO9/c1-6(17)14(5-16)12(23-9(4)20)10(21-7(2)18)11(13(15)24-14)22-8(3)19/h10-13,16H,5H2,1-4H3/t10-,11-,12+,13+,14+/m1/s1
InChIKeyQVKIESIJTUMZMJ-DGTMBMJNSA-N
XLogP-0.57
TPSA125.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [(2R,3S,4S,5R,6R)-2-acetyl-3,5-diacetyloxy-6-fluoro-2-(hydroxymethyl)oxan-4-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R,6R)-2-acetyl-3,5-diacetyloxy-6-fluoro-2-(hydroxymethyl)oxan-4-yl] acetate?
The IUPAC name of [(2R,3S,4S,5R,6R)-2-acetyl-3,5-diacetyloxy-6-fluoro-2-(hydroxymethyl)oxan-4-yl] acetate (CID 66808929) is [(2R,3S,4S,5R,6R)-2-acetyl-3,5-diacetyloxy-6-fluoro-2-(hydroxymethyl)oxan-4-yl] acetate.
What is the SMILES notation for [(2R,3S,4S,5R,6R)-2-acetyl-3,5-diacetyloxy-6-fluoro-2-(hydroxymethyl)oxan-4-yl] acetate?
The canonical SMILES for [(2R,3S,4S,5R,6R)-2-acetyl-3,5-diacetyloxy-6-fluoro-2-(hydroxymethyl)oxan-4-yl] acetate is CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@](CO)(C(C)=O)O[C@@H]1F.
What is the InChIKey of [(2R,3S,4S,5R,6R)-2-acetyl-3,5-diacetyloxy-6-fluoro-2-(hydroxymethyl)oxan-4-yl] acetate?
The InChIKey is QVKIESIJTUMZMJ-DGTMBMJNSA-N. The full InChI is InChI=1S/C14H19FO9/c1-6(17)14(5-16)12(23-9(4)20)10(21-7(2)18)11(13(15)24-14)22-8(3)19/h10-13,16H,5H2,1-4H3/t10-,11-,12+,13+,14+/m1/s1.
What are the key properties of [(2R,3S,4S,5R,6R)-2-acetyl-3,5-diacetyloxy-6-fluoro-2-(hydroxymethyl)oxan-4-yl] acetate?
[(2R,3S,4S,5R,6R)-2-acetyl-3,5-diacetyloxy-6-fluoro-2-(hydroxymethyl)oxan-4-yl] acetate has a molecular weight of 350.30 g/mol, XLogP of -0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R,6R)-2-acetyl-3,5-diacetyloxy-6-fluoro-2-(hydroxymethyl)oxan-4-yl] acetate is sourced from PubChem (CID 66808929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).