[(2S,3R,4R,5S)-5-acetyloxy-3,4-dihydroxyoxolan-2-yl]methyl benzoate

C14H16O7 — CID 22215551

IUPAC[(2S,3R,4R,5S)-5-acetyloxy-3,4-dihydroxyoxolan-2-yl]methyl benzoate
SMILESCC(=O)O[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@H](O)[C@H]1O
InChIInChI=1S/C14H16O7/c1-8(15)20-14-12(17)11(16)10(21-14)7-19-13(18)9-5-3-2-4-6-9/h2-6,10-12,14,16-17H,7H2,1H3/t10-,11-,12+,14+/m0/s1
InChIKeyLCWOLBZGFCYBAG-CIQGVGRVSA-N
MW296.27 g/mol
LogP-0.15
Rot. Bonds4

About [(2S,3R,4R,5S)-5-acetyloxy-3,4-dihydroxyoxolan-2-yl]methyl benzoate

[(2S,3R,4R,5S)-5-acetyloxy-3,4-dihydroxyoxolan-2-yl]methyl benzoate (PubChem CID 22215551) has the molecular formula C14H16O7 and a molecular weight of 296.27 g/mol. Its IUPAC name is [(2S,3R,4R,5S)-5-acetyloxy-3,4-dihydroxyoxolan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2S,3R,4R,5S)-5-acetyloxy-3,4-dihydroxyoxolan-2-yl]methyl benzoate
PubChem CID22215551
Molecular FormulaC14H16O7
Molecular Weight296.27 g/mol
Exact Mass296.09
IUPAC Name[(2S,3R,4R,5S)-5-acetyloxy-3,4-dihydroxyoxolan-2-yl]methyl benzoate
SMILESCC(=O)O[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@H](O)[C@H]1O
InChIInChI=1S/C14H16O7/c1-8(15)20-14-12(17)11(16)10(21-14)7-19-13(18)9-5-3-2-4-6-9/h2-6,10-12,14,16-17H,7H2,1H3/t10-,11-,12+,14+/m0/s1
InChIKeyLCWOLBZGFCYBAG-CIQGVGRVSA-N
XLogP-0.15
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2S,3R,4R,5S)-5-acetyloxy-3,4-dihydroxyoxolan-2-yl]methyl benzoate with MolForge

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Related Compounds

[(2R,5S)-5-acetyloxy-3-benzoyloxy-4-hydroxyoxolan-2-yl]methyl benzoate
CID 70920419
[(2S,3S,4R,5R)-5-acetyloxy-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate
CID 44629946
[(2R,4S,5S)-5-acetyloxy-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate
CID 2783912
[(2R,3R,4R,5S)-5-acetyloxy-3,4-dibenzoyloxy(513C)oxolan-2-yl]methyl benzoate
CID 165412453
(6-acetyloxy-3-amino-4,5-dibenzoyloxyoxan-2-yl)methyl benzoate
CID 163702613
[(2S,3S,4S)-5-acetyloxy-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate
CID 70023780
(4,5-diethoxy-3-hydroxyoxolan-2-yl)methyl benzoate
CID 59855677
[(2S,3R,4R,5S)-4,5-diacetyloxy-3-(trifluoromethyl)oxolan-2-yl]methyl benzoate
CID 10810403
[(2R,3S,5S)-3-hydroxy-4,5-dimethoxyoxolan-2-yl]methyl benzoate
CID 70844005
[(2R,3R,4S,5R)-4,5,6-tribenzoyloxy-3-hydroxyoxan-2-yl]methyl benzoate
CID 141003248
[(2R,3R,4R,5R,6R)-4-benzoyloxy-3,5-dihydroxy-6-methoxyoxan-2-yl]methyl benzoate
CID 100995736
[(2R,3R,4S,5R,6S)-4,5-dibenzoyloxy-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate
CID 11113900

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5S)-5-acetyloxy-3,4-dihydroxyoxolan-2-yl]methyl benzoate?
The IUPAC name of [(2S,3R,4R,5S)-5-acetyloxy-3,4-dihydroxyoxolan-2-yl]methyl benzoate (CID 22215551) is [(2S,3R,4R,5S)-5-acetyloxy-3,4-dihydroxyoxolan-2-yl]methyl benzoate.
What is the SMILES notation for [(2S,3R,4R,5S)-5-acetyloxy-3,4-dihydroxyoxolan-2-yl]methyl benzoate?
The canonical SMILES for [(2S,3R,4R,5S)-5-acetyloxy-3,4-dihydroxyoxolan-2-yl]methyl benzoate is CC(=O)O[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@H](O)[C@H]1O.
What is the InChIKey of [(2S,3R,4R,5S)-5-acetyloxy-3,4-dihydroxyoxolan-2-yl]methyl benzoate?
The InChIKey is LCWOLBZGFCYBAG-CIQGVGRVSA-N. The full InChI is InChI=1S/C14H16O7/c1-8(15)20-14-12(17)11(16)10(21-14)7-19-13(18)9-5-3-2-4-6-9/h2-6,10-12,14,16-17H,7H2,1H3/t10-,11-,12+,14+/m0/s1.
What are the key properties of [(2S,3R,4R,5S)-5-acetyloxy-3,4-dihydroxyoxolan-2-yl]methyl benzoate?
[(2S,3R,4R,5S)-5-acetyloxy-3,4-dihydroxyoxolan-2-yl]methyl benzoate has a molecular weight of 296.27 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5S)-5-acetyloxy-3,4-dihydroxyoxolan-2-yl]methyl benzoate is sourced from PubChem (CID 22215551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).