[(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-fluoroethoxy)-5-methyloxan-3-yl] acetate

C14H23FO6 — CID 58062038

IUPAC[(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-fluoroethoxy)-5-methyloxan-3-yl] acetate
SMILESCC[C@H]1OC(OC(C)=O)[C@H](OC(C)=O)[C@H](OCCF)[C@@H]1C
InChIInChI=1S/C14H23FO6/c1-5-11-8(2)12(18-7-6-15)13(19-9(3)16)14(21-11)20-10(4)17/h8,11-14H,5-7H2,1-4H3/t8-,11-,12-,13-,14?/m1/s1
InChIKeyNREUCPJGMBCRGV-RGCGOGFISA-N
MW306.33 g/mol
LogP1.61
Rot. Bonds6

About [(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-fluoroethoxy)-5-methyloxan-3-yl] acetate

[(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-fluoroethoxy)-5-methyloxan-3-yl] acetate (PubChem CID 58062038) has the molecular formula C14H23FO6 and a molecular weight of 306.33 g/mol. Its IUPAC name is [(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-fluoroethoxy)-5-methyloxan-3-yl] acetate.

Molecular Properties

Compound Name[(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-fluoroethoxy)-5-methyloxan-3-yl] acetate
PubChem CID58062038
Molecular FormulaC14H23FO6
Molecular Weight306.33 g/mol
Exact Mass306.15
IUPAC Name[(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-fluoroethoxy)-5-methyloxan-3-yl] acetate
SMILESCC[C@H]1OC(OC(C)=O)[C@H](OC(C)=O)[C@H](OCCF)[C@@H]1C
InChIInChI=1S/C14H23FO6/c1-5-11-8(2)12(18-7-6-15)13(19-9(3)16)14(21-11)20-10(4)17/h8,11-14H,5-7H2,1-4H3/t8-,11-,12-,13-,14?/m1/s1
InChIKeyNREUCPJGMBCRGV-RGCGOGFISA-N
XLogP1.61
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-fluoroethoxy)-5-methyloxan-3-yl] acetate?
The IUPAC name of [(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-fluoroethoxy)-5-methyloxan-3-yl] acetate (CID 58062038) is [(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-fluoroethoxy)-5-methyloxan-3-yl] acetate.
What is the SMILES notation for [(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-fluoroethoxy)-5-methyloxan-3-yl] acetate?
The canonical SMILES for [(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-fluoroethoxy)-5-methyloxan-3-yl] acetate is CC[C@H]1OC(OC(C)=O)[C@H](OC(C)=O)[C@H](OCCF)[C@@H]1C.
What is the InChIKey of [(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-fluoroethoxy)-5-methyloxan-3-yl] acetate?
The InChIKey is NREUCPJGMBCRGV-RGCGOGFISA-N. The full InChI is InChI=1S/C14H23FO6/c1-5-11-8(2)12(18-7-6-15)13(19-9(3)16)14(21-11)20-10(4)17/h8,11-14H,5-7H2,1-4H3/t8-,11-,12-,13-,14?/m1/s1.
What are the key properties of [(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-fluoroethoxy)-5-methyloxan-3-yl] acetate?
[(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-fluoroethoxy)-5-methyloxan-3-yl] acetate has a molecular weight of 306.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-fluoroethoxy)-5-methyloxan-3-yl] acetate is sourced from PubChem (CID 58062038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).