[(2R,3R,4R,5S)-2,3,5,6-tetraacetyloxy-4-fluorohexyl] acetate

C16H23FO10 — CID 22216924

IUPAC[(2R,3R,4R,5S)-2,3,5,6-tetraacetyloxy-4-fluorohexyl] acetate
SMILESCC(=O)OC[C@H](OC(C)=O)[C@@H](F)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O
InChIInChI=1S/C16H23FO10/c1-8(18)23-6-13(25-10(3)20)15(17)16(27-12(5)22)14(26-11(4)21)7-24-9(2)19/h13-16H,6-7H2,1-5H3/t13-,14+,15+,16+/m0/s1
InChIKeyHDVOLSOEKMSPQV-ZJIFWQFVSA-N
MW394.35 g/mol
LogP0.25
Rot. Bonds10

About [(2R,3R,4R,5S)-2,3,5,6-tetraacetyloxy-4-fluorohexyl] acetate

[(2R,3R,4R,5S)-2,3,5,6-tetraacetyloxy-4-fluorohexyl] acetate (PubChem CID 22216924) has the molecular formula C16H23FO10 and a molecular weight of 394.35 g/mol. Its IUPAC name is [(2R,3R,4R,5S)-2,3,5,6-tetraacetyloxy-4-fluorohexyl] acetate.

Molecular Properties

Compound Name[(2R,3R,4R,5S)-2,3,5,6-tetraacetyloxy-4-fluorohexyl] acetate
PubChem CID22216924
Molecular FormulaC16H23FO10
Molecular Weight394.35 g/mol
Exact Mass394.13
IUPAC Name[(2R,3R,4R,5S)-2,3,5,6-tetraacetyloxy-4-fluorohexyl] acetate
SMILESCC(=O)OC[C@H](OC(C)=O)[C@@H](F)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O
InChIInChI=1S/C16H23FO10/c1-8(18)23-6-13(25-10(3)20)15(17)16(27-12(5)22)14(26-11(4)21)7-24-9(2)19/h13-16H,6-7H2,1-5H3/t13-,14+,15+,16+/m0/s1
InChIKeyHDVOLSOEKMSPQV-ZJIFWQFVSA-N
XLogP0.25
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S,4R,5S,6R,7S)-2,3,4,5,6,7,8-heptaacetyloxyoctyl] acetate
CID 10907981
[(2R,3S,4R,7R,8S,9R)-2,3,4,7,8,9,10-heptaacetyloxydecyl] acetate
CID 101457438
[(2R,3S,4R)-3,4,5-triacetyloxy-2-methylpentyl] acetate
CID 11723388
[(2S,3R,4R)-2,3,4-triacetyloxy-5-hydroxypentyl] acetate
CID 10990808
[(2R,3R,4R,5S)-2,3,4,5-tetraacetyloxy-6-methoxyhexyl] acetate
CID 91751656
[(2R,3R,4S,5R)-2,3,4,5,6,6-hexaacetyloxyhexyl] acetate
CID 2728799
(3,4,5,6-tetraacetyloxy-2-hydroxyhexyl) acetate
CID 123857051
[(2R,3R,4R,5R)-2,3,4,5-tetraacetyloxy-6-ethoxyhexyl] acetate
CID 22212780
[(2R,3R,4R)-2,3,4-triacetyloxy-5-amino-5-oxopentyl] acetate
CID 2729263
[(3S,4R)-3,4,5-triacetyloxy-2-(1-acetyloxyethoxy)pentyl] acetate
CID 89319583
(5,6-diacetyloxy-2,3,4-trimethoxyhexyl) acetate
CID 538776
[(2S,3S,4S,5R)-2,3,4,5-tetraacetyloxy-6-(methylamino)hexyl] acetate
CID 89305174

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5S)-2,3,5,6-tetraacetyloxy-4-fluorohexyl] acetate?
The IUPAC name of [(2R,3R,4R,5S)-2,3,5,6-tetraacetyloxy-4-fluorohexyl] acetate (CID 22216924) is [(2R,3R,4R,5S)-2,3,5,6-tetraacetyloxy-4-fluorohexyl] acetate.
What is the SMILES notation for [(2R,3R,4R,5S)-2,3,5,6-tetraacetyloxy-4-fluorohexyl] acetate?
The canonical SMILES for [(2R,3R,4R,5S)-2,3,5,6-tetraacetyloxy-4-fluorohexyl] acetate is CC(=O)OC[C@H](OC(C)=O)[C@@H](F)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O.
What is the InChIKey of [(2R,3R,4R,5S)-2,3,5,6-tetraacetyloxy-4-fluorohexyl] acetate?
The InChIKey is HDVOLSOEKMSPQV-ZJIFWQFVSA-N. The full InChI is InChI=1S/C16H23FO10/c1-8(18)23-6-13(25-10(3)20)15(17)16(27-12(5)22)14(26-11(4)21)7-24-9(2)19/h13-16H,6-7H2,1-5H3/t13-,14+,15+,16+/m0/s1.
What are the key properties of [(2R,3R,4R,5S)-2,3,5,6-tetraacetyloxy-4-fluorohexyl] acetate?
[(2R,3R,4R,5S)-2,3,5,6-tetraacetyloxy-4-fluorohexyl] acetate has a molecular weight of 394.35 g/mol, XLogP of 0.25, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5S)-2,3,5,6-tetraacetyloxy-4-fluorohexyl] acetate is sourced from PubChem (CID 22216924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).