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

C11H15FO7 — CID 14260687

IUPAC[(2S,3S,4R,5S)-3,4-diacetyloxy-5-fluorooxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1O[C@@H](F)[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C11H15FO7/c1-5(13)16-4-8-9(17-6(2)14)10(11(12)19-8)18-7(3)15/h8-11H,4H2,1-3H3/t8-,9-,10+,11+/m0/s1
InChIKeyVSPHMBCVTPKVTI-UKKRHICBSA-N
MW278.23 g/mol
LogP0.11
Rot. Bonds4

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

[(2S,3S,4R,5S)-3,4-diacetyloxy-5-fluorooxolan-2-yl]methyl acetate (PubChem CID 14260687) has the molecular formula C11H15FO7 and a molecular weight of 278.23 g/mol. Its IUPAC name is [(2S,3S,4R,5S)-3,4-diacetyloxy-5-fluorooxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2S,3S,4R,5S)-3,4-diacetyloxy-5-fluorooxolan-2-yl]methyl acetate
PubChem CID14260687
Molecular FormulaC11H15FO7
Molecular Weight278.23 g/mol
Exact Mass278.08
IUPAC Name[(2S,3S,4R,5S)-3,4-diacetyloxy-5-fluorooxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1O[C@@H](F)[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C11H15FO7/c1-5(13)16-4-8-9(17-6(2)14)10(11(12)19-8)18-7(3)15/h8-11H,4H2,1-3H3/t8-,9-,10+,11+/m0/s1
InChIKeyVSPHMBCVTPKVTI-UKKRHICBSA-N
XLogP0.11
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-fluorooxan-2-yl]methyl acetate
CID 7427859
[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-fluorooxan-3-yl]oxyoxan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 139700471
[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate
CID 131700350
[(2R,3S,4R)-3,4-bis[(2-deuterioacetyl)oxy]-5-fluorooxolan-2-yl]methyl 2-deuterioacetate
CID 164929059
[(5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl acetate
CID 118601719
[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[hydroxy-[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-fluorooxan-2-yl]methyl]oxan-2-yl]methyl acetate
CID 67928505
[(2R,3R,4S,6S)-3,4,6-triacetyloxy-5-(18F)fluorooxan-2-yl]methyl acetate
CID 11068051
[(2S,3R,4S,5R)-3,4-diacetyloxy-5-sulfanyloxolan-2-yl]methyl acetate
CID 91464161
[(3S,4R,6S)-3,4-diacetyloxy-5,6-dimethyloxan-2-yl]methyl acetate
CID 71155336
[(2R,3R,4R,5S)-3,4,5-triacetyloxy(513C)oxolan-2-yl]methyl acetate
CID 11461323
[(2R,3S,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate
CID 24802529
[3,4-diacetyloxy-6-fluoro-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate
CID 4119878

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R,5S)-3,4-diacetyloxy-5-fluorooxolan-2-yl]methyl acetate?
The IUPAC name of [(2S,3S,4R,5S)-3,4-diacetyloxy-5-fluorooxolan-2-yl]methyl acetate (CID 14260687) is [(2S,3S,4R,5S)-3,4-diacetyloxy-5-fluorooxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2S,3S,4R,5S)-3,4-diacetyloxy-5-fluorooxolan-2-yl]methyl acetate?
The canonical SMILES for [(2S,3S,4R,5S)-3,4-diacetyloxy-5-fluorooxolan-2-yl]methyl acetate is CC(=O)OC[C@@H]1O[C@@H](F)[C@H](OC(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of [(2S,3S,4R,5S)-3,4-diacetyloxy-5-fluorooxolan-2-yl]methyl acetate?
The InChIKey is VSPHMBCVTPKVTI-UKKRHICBSA-N. The full InChI is InChI=1S/C11H15FO7/c1-5(13)16-4-8-9(17-6(2)14)10(11(12)19-8)18-7(3)15/h8-11H,4H2,1-3H3/t8-,9-,10+,11+/m0/s1.
What are the key properties of [(2S,3S,4R,5S)-3,4-diacetyloxy-5-fluorooxolan-2-yl]methyl acetate?
[(2S,3S,4R,5S)-3,4-diacetyloxy-5-fluorooxolan-2-yl]methyl acetate has a molecular weight of 278.23 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R,5S)-3,4-diacetyloxy-5-fluorooxolan-2-yl]methyl acetate is sourced from PubChem (CID 14260687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).