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

C19H18O7 — CID 11121877

IUPAC[(2R,3S,4S)-3-benzoyloxy-4,5-dihydroxyoxolan-2-yl]methyl benzoate
SMILESO=C(OC[C@H]1OC(O)[C@@H](O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O7/c20-15-16(26-18(22)13-9-5-2-6-10-13)14(25-19(15)23)11-24-17(21)12-7-3-1-4-8-12/h1-10,14-16,19-20,23H,11H2/t14-,15+,16-,19?/m1/s1
InChIKeyLCDKYOAPLZBJFS-ONXYJPLBSA-N
MW358.35 g/mol
LogP1.15
Rot. Bonds5

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

[(2R,3S,4S)-3-benzoyloxy-4,5-dihydroxyoxolan-2-yl]methyl benzoate (PubChem CID 11121877) has the molecular formula C19H18O7 and a molecular weight of 358.35 g/mol. Its IUPAC name is [(2R,3S,4S)-3-benzoyloxy-4,5-dihydroxyoxolan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2R,3S,4S)-3-benzoyloxy-4,5-dihydroxyoxolan-2-yl]methyl benzoate
PubChem CID11121877
Molecular FormulaC19H18O7
Molecular Weight358.35 g/mol
Exact Mass358.11
IUPAC Name[(2R,3S,4S)-3-benzoyloxy-4,5-dihydroxyoxolan-2-yl]methyl benzoate
SMILESO=C(OC[C@H]1OC(O)[C@@H](O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O7/c20-15-16(26-18(22)13-9-5-2-6-10-13)14(25-19(15)23)11-24-17(21)12-7-3-1-4-8-12/h1-10,14-16,19-20,23H,11H2/t14-,15+,16-,19?/m1/s1
InChIKeyLCDKYOAPLZBJFS-ONXYJPLBSA-N
XLogP1.15
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S,3S,4S,5S)-3,4-dibenzoyloxy-5-hydroxyoxolan-2-yl]methyl benzoate
CID 69423691
[(2R,3R,4S)-3,4-dibenzoyloxy-5-hydroxyoxolan-2-yl]methyl benzoate
CID 54395944
[(2R,3R,4R,5S)-3,4-dibenzoyloxy-5-hydroxyoxolan-2-yl]methyl benzoate
CID 69423692
[(2R,3S,4S,5S,6R)-3,4,5-tribenzoyloxy-6-hydroxyoxan-2-yl]methyl benzoate
CID 95198842
[(2R,3R,4S,5S)-3,4,5-tribenzoyloxy-6-hydroxyoxan-2-yl]methyl benzoate
CID 11146396
[(4R)-4,5-dihydroxy-3-methoxyoxolan-2-yl]methyl benzoate
CID 130233330
[(2R,3S,4S,5R,6S)-4,5-dibenzoyloxy-3,6-dihydroxyoxan-2-yl]methyl benzoate
CID 56619465
[(2S,3R,4R,5R)-4,5-dihydroxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
CID 1273823
[(2R,3S,4S,5S)-3-benzoyloxy-4-hydroxy-5-methoxyoxolan-2-yl]methyl benzoate
CID 101138455
[(2R,3R,4S)-4-benzoyloxy-3-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate
CID 126567775
[(2R,5S)-5-acetyloxy-3-benzoyloxy-4-hydroxyoxolan-2-yl]methyl benzoate
CID 70920419
[(2R,3R,4R,5R,6R)-3,5-dibenzoyloxy-4-hydroxy-6-methoxyoxan-2-yl]methyl benzoate
CID 102185208

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S)-3-benzoyloxy-4,5-dihydroxyoxolan-2-yl]methyl benzoate?
The IUPAC name of [(2R,3S,4S)-3-benzoyloxy-4,5-dihydroxyoxolan-2-yl]methyl benzoate (CID 11121877) is [(2R,3S,4S)-3-benzoyloxy-4,5-dihydroxyoxolan-2-yl]methyl benzoate.
What is the SMILES notation for [(2R,3S,4S)-3-benzoyloxy-4,5-dihydroxyoxolan-2-yl]methyl benzoate?
The canonical SMILES for [(2R,3S,4S)-3-benzoyloxy-4,5-dihydroxyoxolan-2-yl]methyl benzoate is O=C(OC[C@H]1OC(O)[C@@H](O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3S,4S)-3-benzoyloxy-4,5-dihydroxyoxolan-2-yl]methyl benzoate?
The InChIKey is LCDKYOAPLZBJFS-ONXYJPLBSA-N. The full InChI is InChI=1S/C19H18O7/c20-15-16(26-18(22)13-9-5-2-6-10-13)14(25-19(15)23)11-24-17(21)12-7-3-1-4-8-12/h1-10,14-16,19-20,23H,11H2/t14-,15+,16-,19?/m1/s1.
What are the key properties of [(2R,3S,4S)-3-benzoyloxy-4,5-dihydroxyoxolan-2-yl]methyl benzoate?
[(2R,3S,4S)-3-benzoyloxy-4,5-dihydroxyoxolan-2-yl]methyl benzoate has a molecular weight of 358.35 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S)-3-benzoyloxy-4,5-dihydroxyoxolan-2-yl]methyl benzoate is sourced from PubChem (CID 11121877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).