[(2S,4R,6S)-4-benzoyloxy-6-methoxyoxan-2-yl]methyl benzoate

C21H22O6 — CID 10339119

IUPAC[(2S,4R,6S)-4-benzoyloxy-6-methoxyoxan-2-yl]methyl benzoate
SMILESCO[C@@H]1C[C@H](OC(=O)c2ccccc2)C[C@@H](COC(=O)c2ccccc2)O1
InChIInChI=1S/C21H22O6/c1-24-19-13-17(27-21(23)16-10-6-3-7-11-16)12-18(26-19)14-25-20(22)15-8-4-2-5-9-15/h2-11,17-19H,12-14H2,1H3/t17-,18+,19+/m1/s1
InChIKeyNWPGEUMXXNXSGN-QYZOEREBSA-N
MW370.40 g/mol
LogP3.22
Rot. Bonds6

About [(2S,4R,6S)-4-benzoyloxy-6-methoxyoxan-2-yl]methyl benzoate

[(2S,4R,6S)-4-benzoyloxy-6-methoxyoxan-2-yl]methyl benzoate (PubChem CID 10339119) has the molecular formula C21H22O6 and a molecular weight of 370.40 g/mol. Its IUPAC name is [(2S,4R,6S)-4-benzoyloxy-6-methoxyoxan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2S,4R,6S)-4-benzoyloxy-6-methoxyoxan-2-yl]methyl benzoate
PubChem CID10339119
Molecular FormulaC21H22O6
Molecular Weight370.40 g/mol
Exact Mass370.14
IUPAC Name[(2S,4R,6S)-4-benzoyloxy-6-methoxyoxan-2-yl]methyl benzoate
SMILESCO[C@@H]1C[C@H](OC(=O)c2ccccc2)C[C@@H](COC(=O)c2ccccc2)O1
InChIInChI=1S/C21H22O6/c1-24-19-13-17(27-21(23)16-10-6-3-7-11-16)12-18(26-19)14-25-20(22)15-8-4-2-5-9-15/h2-11,17-19H,12-14H2,1H3/t17-,18+,19+/m1/s1
InChIKeyNWPGEUMXXNXSGN-QYZOEREBSA-N
XLogP3.22
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-benzoyloxy-6-prop-2-enoxyoxan-2-yl)methyl benzoate
CID 123793228
[(2S,4R,5R)-4-benzoyloxy-5-methoxyoxolan-2-yl]methyl benzoate
CID 101010370
[(1R,2S,4S,6R)-2-methoxy-3,7-dioxabicyclo[4.1.0]heptan-4-yl]methyl benzoate
CID 11242511
[(2S,4R,5R)-4-benzoyloxy-5-bromooxolan-2-yl]methyl benzoate
CID 70401992
[(2S,4R,6S)-4-benzoyloxy-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-2-yl]methyl benzoate
CID 10412106
[(2S,4S,5R,6R)-4,5-dibenzoyloxy-6-bromooxyoxan-2-yl]methyl benzoate
CID 67631238
[(2S,4R,5S)-4-hydroxy-5-methoxyoxolan-2-yl]methyl 4-phenylbenzoate
CID 67760613
[(2S,4R,5S)-4-hydroxy-5-(2-methoxyethoxy)oxolan-2-yl]methyl benzoate
CID 70223432
[(2R,3R,4R,6R)-4-benzoyloxy-6-methoxy-3-(trifluoromethylsulfonyloxy)oxan-2-yl]methyl benzoate
CID 89051207
(4-hydroxy-6-methoxyoxan-2-yl)methyl 3,5-dimethyl-4-phenylmethoxybenzoate
CID 142600396
[(2R,3R,4R,5R,6R)-3,4,5-tribenzoyloxy-6-methoxyoxan-2-yl]methyl benzoate
CID 100995738
[(2S,3R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate
CID 68926499

Frequently Asked Questions

What is the IUPAC name of [(2S,4R,6S)-4-benzoyloxy-6-methoxyoxan-2-yl]methyl benzoate?
The IUPAC name of [(2S,4R,6S)-4-benzoyloxy-6-methoxyoxan-2-yl]methyl benzoate (CID 10339119) is [(2S,4R,6S)-4-benzoyloxy-6-methoxyoxan-2-yl]methyl benzoate.
What is the SMILES notation for [(2S,4R,6S)-4-benzoyloxy-6-methoxyoxan-2-yl]methyl benzoate?
The canonical SMILES for [(2S,4R,6S)-4-benzoyloxy-6-methoxyoxan-2-yl]methyl benzoate is CO[C@@H]1C[C@H](OC(=O)c2ccccc2)C[C@@H](COC(=O)c2ccccc2)O1.
What is the InChIKey of [(2S,4R,6S)-4-benzoyloxy-6-methoxyoxan-2-yl]methyl benzoate?
The InChIKey is NWPGEUMXXNXSGN-QYZOEREBSA-N. The full InChI is InChI=1S/C21H22O6/c1-24-19-13-17(27-21(23)16-10-6-3-7-11-16)12-18(26-19)14-25-20(22)15-8-4-2-5-9-15/h2-11,17-19H,12-14H2,1H3/t17-,18+,19+/m1/s1.
What are the key properties of [(2S,4R,6S)-4-benzoyloxy-6-methoxyoxan-2-yl]methyl benzoate?
[(2S,4R,6S)-4-benzoyloxy-6-methoxyoxan-2-yl]methyl benzoate has a molecular weight of 370.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,6S)-4-benzoyloxy-6-methoxyoxan-2-yl]methyl benzoate is sourced from PubChem (CID 10339119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).