phenyl-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanone

C41H40O6 — CID 146165841

IUPACphenyl-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanone
SMILESO=C(c1ccccc1)[C@@H]1OC(COCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C41H40O6/c42-37(35-24-14-5-15-25-35)39-41(46-29-34-22-12-4-13-23-34)40(45-28-33-20-10-3-11-21-33)38(44-27-32-18-8-2-9-19-32)36(47-39)30-43-26-31-16-6-1-7-17-31/h1-25,36,38-41H,26-30H2/t36?,38-,39+,40?,41?/m1/s1
InChIKeyDGHIUOCZMDLHGD-PYRKKTRASA-N
MW628.77 g/mol
LogP7.61
Rot. Bonds15

About phenyl-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanone

phenyl-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanone (PubChem CID 146165841) has the molecular formula C41H40O6 and a molecular weight of 628.77 g/mol. Its IUPAC name is phenyl-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanone.

Molecular Properties

Compound Namephenyl-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanone
PubChem CID146165841
Molecular FormulaC41H40O6
Molecular Weight628.77 g/mol
Exact Mass628.28
IUPAC Namephenyl-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanone
SMILESO=C(c1ccccc1)[C@@H]1OC(COCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C41H40O6/c42-37(35-24-14-5-15-25-35)39-41(46-29-34-22-12-4-13-23-34)40(45-28-33-20-10-3-11-21-33)38(44-27-32-18-8-2-9-19-32)36(47-39)30-43-26-31-16-6-1-7-17-31/h1-25,36,38-41H,26-30H2/t36?,38-,39+,40?,41?/m1/s1
InChIKeyDGHIUOCZMDLHGD-PYRKKTRASA-N
XLogP7.61
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.77
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carboxylic acid
CID 102396248
1-phenyl-2-[(2S,4R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanone
CID 164669346
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479
N-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]benzamide
CID 132990345
(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbothioamide
CID 146019195
3-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoic acid
CID 135018017
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
[(2R,3S,4S,5R,6R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] benzoate
CID 16748763
(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 56651177
[2-[(4-methoxyphenyl)methyl]phenyl]-[(2R,3R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanone
CID 163468376
1,3-bis[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy]propan-2-yl benzoate
CID 87366191

Frequently Asked Questions

What is the IUPAC name of phenyl-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanone?
The IUPAC name of phenyl-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanone (CID 146165841) is phenyl-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanone.
What is the SMILES notation for phenyl-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanone?
The canonical SMILES for phenyl-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanone is O=C(c1ccccc1)[C@@H]1OC(COCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of phenyl-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanone?
The InChIKey is DGHIUOCZMDLHGD-PYRKKTRASA-N. The full InChI is InChI=1S/C41H40O6/c42-37(35-24-14-5-15-25-35)39-41(46-29-34-22-12-4-13-23-34)40(45-28-33-20-10-3-11-21-33)38(44-27-32-18-8-2-9-19-32)36(47-39)30-43-26-31-16-6-1-7-17-31/h1-25,36,38-41H,26-30H2/t36?,38-,39+,40?,41?/m1/s1.
What are the key properties of phenyl-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanone?
phenyl-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanone has a molecular weight of 628.77 g/mol, XLogP of 7.61, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanone is sourced from PubChem (CID 146165841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).