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

C39H39NO7S — CID 72749768

IUPAC2-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfonylpyridine
SMILESO=S(=O)(c1ccccn1)C1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C39H39NO7S/c41-48(42,35-23-13-14-24-40-35)39-38(46-28-33-21-11-4-12-22-33)37(45-27-32-19-9-3-10-20-32)36(44-26-31-17-7-2-8-18-31)34(47-39)29-43-25-30-15-5-1-6-16-30/h1-24,34,36-39H,25-29H2
InChIKeyMGKNLYNEULNGFT-UHFFFAOYSA-N
MW665.81 g/mol
LogP6.55
Rot. Bonds15

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

2-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfonylpyridine (PubChem CID 72749768) has the molecular formula C39H39NO7S and a molecular weight of 665.81 g/mol. Its IUPAC name is 2-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfonylpyridine.

Molecular Properties

Compound Name2-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfonylpyridine
PubChem CID72749768
Molecular FormulaC39H39NO7S
Molecular Weight665.81 g/mol
Exact Mass665.24
IUPAC Name2-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfonylpyridine
SMILESO=S(=O)(c1ccccn1)C1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C39H39NO7S/c41-48(42,35-23-13-14-24-40-35)39-38(46-28-33-21-11-4-12-22-33)37(45-27-32-19-9-3-10-20-32)36(44-26-31-17-7-2-8-18-31)34(47-39)29-43-25-30-15-5-1-6-16-30/h1-24,34,36-39H,25-29H2
InChIKeyMGKNLYNEULNGFT-UHFFFAOYSA-N
XLogP6.55
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.81
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3R,4S,5R,6R)-2-ethylsulfonyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 101169404
(2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propylsulfonyloxane
CID 101169405
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,3R,4S,5S,6R)-2-[difluoro(pyridin-2-ylsulfonyl)methyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 122226659
(2R,5S)-2-bromo-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 135036475
[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479
(2R,3R,4S,5R)-2-bromo-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 102041526
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
2-[(2R,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetaldehyde
CID 91195205
(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
(2S,3S,4R,5R,6R)-2-phenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11422041
(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-thiol
CID 102081049

Frequently Asked Questions

What is the IUPAC name of 2-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfonylpyridine?
The IUPAC name of 2-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfonylpyridine (CID 72749768) is 2-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfonylpyridine.
What is the SMILES notation for 2-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfonylpyridine?
The canonical SMILES for 2-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfonylpyridine is O=S(=O)(c1ccccn1)C1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 2-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfonylpyridine?
The InChIKey is MGKNLYNEULNGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H39NO7S/c41-48(42,35-23-13-14-24-40-35)39-38(46-28-33-21-11-4-12-22-33)37(45-27-32-19-9-3-10-20-32)36(44-26-31-17-7-2-8-18-31)34(47-39)29-43-25-30-15-5-1-6-16-30/h1-24,34,36-39H,25-29H2.
What are the key properties of 2-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfonylpyridine?
2-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfonylpyridine has a molecular weight of 665.81 g/mol, XLogP of 6.55, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfonylpyridine is sourced from PubChem (CID 72749768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).