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

C26H24O6S — CID 131877463

IUPAC[(2R,3S,4S,5R)-3-benzoyloxy-5-benzylsulfanyl-4-hydroxyoxolan-2-yl]methyl benzoate
SMILESO=C(OC[C@H]1O[C@H](SCc2ccccc2)[C@@H](O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24O6S/c27-22-23(32-25(29)20-14-8-3-9-15-20)21(16-30-24(28)19-12-6-2-7-13-19)31-26(22)33-17-18-10-4-1-5-11-18/h1-15,21-23,26-27H,16-17H2/t21-,22+,23-,26-/m1/s1
InChIKeyYVBHTHHABQEDPF-ZGXDEKTJSA-N
MW464.54 g/mol
LogP4.09
Rot. Bonds8

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

[(2R,3S,4S,5R)-3-benzoyloxy-5-benzylsulfanyl-4-hydroxyoxolan-2-yl]methyl benzoate (PubChem CID 131877463) has the molecular formula C26H24O6S and a molecular weight of 464.54 g/mol. Its IUPAC name is [(2R,3S,4S,5R)-3-benzoyloxy-5-benzylsulfanyl-4-hydroxyoxolan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2R,3S,4S,5R)-3-benzoyloxy-5-benzylsulfanyl-4-hydroxyoxolan-2-yl]methyl benzoate
PubChem CID131877463
Molecular FormulaC26H24O6S
Molecular Weight464.54 g/mol
Exact Mass464.13
IUPAC Name[(2R,3S,4S,5R)-3-benzoyloxy-5-benzylsulfanyl-4-hydroxyoxolan-2-yl]methyl benzoate
SMILESO=C(OC[C@H]1O[C@H](SCc2ccccc2)[C@@H](O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24O6S/c27-22-23(32-25(29)20-14-8-3-9-15-20)21(16-30-24(28)19-12-6-2-7-13-19)31-26(22)33-17-18-10-4-1-5-11-18/h1-15,21-23,26-27H,16-17H2/t21-,22+,23-,26-/m1/s1
InChIKeyYVBHTHHABQEDPF-ZGXDEKTJSA-N
XLogP4.09
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2R,3S,4S,5R)-3-benzoyloxy-5-benzylsulfanyl-4-hydroxyoxolan-2-yl]methyl benzoate with MolForge

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Related Compounds

[(2R,3S,4S)-3-benzoyloxy-4,5-dihydroxyoxolan-2-yl]methyl benzoate
CID 11121877
[(3R,4S,6S)-3,5-dibenzoyloxy-6-ethylsulfanyl-4-methyloxan-2-yl]methyl benzoate
CID 126497699
[(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,5R,6R)-3,4,5-tribenzoyloxy-6-prop-2-enylsulfanyloxan-2-yl]methyl benzoate
CID 169247052
[(2R,3S,4S,5S)-3-benzoyloxy-4-hydroxy-5-methoxyoxolan-2-yl]methyl benzoate
CID 101138455
[(2R,3R,4S,5S)-3,4,5-tribenzoyloxy-6-hydroxyoxan-2-yl]methyl benzoate
CID 11146396
[(2R,3S,4S,5S,6R)-3,4,5-tribenzoyloxy-6-hydroxyoxan-2-yl]methyl benzoate
CID 95198842
[(2R,3R,4R,5R,6R)-3,5-dibenzoyloxy-4-hydroxy-6-methoxyoxan-2-yl]methyl benzoate
CID 102185208
[(2R,3R,4S,5R)-3,4,5-tribenzoyloxy-6-phenylsulfanyloxan-2-yl]methyl benzoate
CID 102302505
[(2R,5S)-5-acetyloxy-3-benzoyloxy-4-hydroxyoxolan-2-yl]methyl benzoate
CID 70920419

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R)-3-benzoyloxy-5-benzylsulfanyl-4-hydroxyoxolan-2-yl]methyl benzoate?
The IUPAC name of [(2R,3S,4S,5R)-3-benzoyloxy-5-benzylsulfanyl-4-hydroxyoxolan-2-yl]methyl benzoate (CID 131877463) is [(2R,3S,4S,5R)-3-benzoyloxy-5-benzylsulfanyl-4-hydroxyoxolan-2-yl]methyl benzoate.
What is the SMILES notation for [(2R,3S,4S,5R)-3-benzoyloxy-5-benzylsulfanyl-4-hydroxyoxolan-2-yl]methyl benzoate?
The canonical SMILES for [(2R,3S,4S,5R)-3-benzoyloxy-5-benzylsulfanyl-4-hydroxyoxolan-2-yl]methyl benzoate is O=C(OC[C@H]1O[C@H](SCc2ccccc2)[C@@H](O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3S,4S,5R)-3-benzoyloxy-5-benzylsulfanyl-4-hydroxyoxolan-2-yl]methyl benzoate?
The InChIKey is YVBHTHHABQEDPF-ZGXDEKTJSA-N. The full InChI is InChI=1S/C26H24O6S/c27-22-23(32-25(29)20-14-8-3-9-15-20)21(16-30-24(28)19-12-6-2-7-13-19)31-26(22)33-17-18-10-4-1-5-11-18/h1-15,21-23,26-27H,16-17H2/t21-,22+,23-,26-/m1/s1.
What are the key properties of [(2R,3S,4S,5R)-3-benzoyloxy-5-benzylsulfanyl-4-hydroxyoxolan-2-yl]methyl benzoate?
[(2R,3S,4S,5R)-3-benzoyloxy-5-benzylsulfanyl-4-hydroxyoxolan-2-yl]methyl benzoate has a molecular weight of 464.54 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R)-3-benzoyloxy-5-benzylsulfanyl-4-hydroxyoxolan-2-yl]methyl benzoate is sourced from PubChem (CID 131877463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).