[(2R,3R,4R)-6-oxo-3,4-bis(phenylmethoxy)oxan-2-yl]methyl benzoate

C27H26O6 — CID 102121862

IUPAC[(2R,3R,4R)-6-oxo-3,4-bis(phenylmethoxy)oxan-2-yl]methyl benzoate
SMILESO=C1C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COC(=O)c2ccccc2)O1
InChIInChI=1S/C27H26O6/c28-25-16-23(30-17-20-10-4-1-5-11-20)26(31-18-21-12-6-2-7-13-21)24(33-25)19-32-27(29)22-14-8-3-9-15-22/h1-15,23-24,26H,16-19H2/t23-,24-,26-/m1/s1
InChIKeyULMDOOWYLGSQIS-DGWZTRNLSA-N
MW446.50 g/mol
LogP4.33
Rot. Bonds9

About [(2R,3R,4R)-6-oxo-3,4-bis(phenylmethoxy)oxan-2-yl]methyl benzoate

[(2R,3R,4R)-6-oxo-3,4-bis(phenylmethoxy)oxan-2-yl]methyl benzoate (PubChem CID 102121862) has the molecular formula C27H26O6 and a molecular weight of 446.50 g/mol. Its IUPAC name is [(2R,3R,4R)-6-oxo-3,4-bis(phenylmethoxy)oxan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2R,3R,4R)-6-oxo-3,4-bis(phenylmethoxy)oxan-2-yl]methyl benzoate
PubChem CID102121862
Molecular FormulaC27H26O6
Molecular Weight446.50 g/mol
Exact Mass446.17
IUPAC Name[(2R,3R,4R)-6-oxo-3,4-bis(phenylmethoxy)oxan-2-yl]methyl benzoate
SMILESO=C1C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COC(=O)c2ccccc2)O1
InChIInChI=1S/C27H26O6/c28-25-16-23(30-17-20-10-4-1-5-11-20)26(31-18-21-12-6-2-7-13-21)24(33-25)19-32-27(29)22-14-8-3-9-15-22/h1-15,23-24,26H,16-19H2/t23-,24-,26-/m1/s1
InChIKeyULMDOOWYLGSQIS-DGWZTRNLSA-N
XLogP4.33
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate
CID 101201663
(4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 10686548
[3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl benzoate
CID 14605865
[(3aR,4S,6aR)-2-oxo-5-phenylmethoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-4-yl]methyl benzoate
CID 10406643
4,5-bis(phenylmethoxy)-6-[(3-phenylmethoxyphenyl)methoxymethyl]oxan-2-one
CID 142349340
[(3S,4S,6R)-3-hydroxy-4,5,6-tris(phenylmethoxy)oxan-2-yl]methyl benzoate
CID 46783493
[(2R,3R,4R)-4-fluoro-5-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl benzoate
CID 129152365
(4R,5S,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-one
CID 10724297
[(2R,3R,4S,5R)-5-[(2S,3S,4R,5R)-5-(benzoyloxymethyl)-2-methoxy-4-phenylmethoxyoxolan-3-yl]oxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate
CID 46895699
[(2S,3R,4S,5R,6R)-3,5,6-tribenzoyloxy-4-phenylmethoxyoxan-2-yl]methyl benzoate
CID 11490912
[(2R,3R,4S,5R)-5-octoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate
CID 101138475
[(2R,3S,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-3-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl benzoate
CID 71313933

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-6-oxo-3,4-bis(phenylmethoxy)oxan-2-yl]methyl benzoate?
The IUPAC name of [(2R,3R,4R)-6-oxo-3,4-bis(phenylmethoxy)oxan-2-yl]methyl benzoate (CID 102121862) is [(2R,3R,4R)-6-oxo-3,4-bis(phenylmethoxy)oxan-2-yl]methyl benzoate.
What is the SMILES notation for [(2R,3R,4R)-6-oxo-3,4-bis(phenylmethoxy)oxan-2-yl]methyl benzoate?
The canonical SMILES for [(2R,3R,4R)-6-oxo-3,4-bis(phenylmethoxy)oxan-2-yl]methyl benzoate is O=C1C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COC(=O)c2ccccc2)O1.
What is the InChIKey of [(2R,3R,4R)-6-oxo-3,4-bis(phenylmethoxy)oxan-2-yl]methyl benzoate?
The InChIKey is ULMDOOWYLGSQIS-DGWZTRNLSA-N. The full InChI is InChI=1S/C27H26O6/c28-25-16-23(30-17-20-10-4-1-5-11-20)26(31-18-21-12-6-2-7-13-21)24(33-25)19-32-27(29)22-14-8-3-9-15-22/h1-15,23-24,26H,16-19H2/t23-,24-,26-/m1/s1.
What are the key properties of [(2R,3R,4R)-6-oxo-3,4-bis(phenylmethoxy)oxan-2-yl]methyl benzoate?
[(2R,3R,4R)-6-oxo-3,4-bis(phenylmethoxy)oxan-2-yl]methyl benzoate has a molecular weight of 446.50 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-6-oxo-3,4-bis(phenylmethoxy)oxan-2-yl]methyl benzoate is sourced from PubChem (CID 102121862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).