2-[2-[(2S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]pyridine

C38H37NO4 — CID 138964323

IUPAC2-[2-[(2S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]pyridine
SMILESc1ccc(COC[C@H]2O[C@H](c3ccccc3-c3ccccn3)C[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C38H37NO4/c1-4-14-29(15-5-1)25-40-28-37-38(42-27-31-18-8-3-9-19-31)36(41-26-30-16-6-2-7-17-30)24-35(43-37)33-21-11-10-20-32(33)34-22-12-13-23-39-34/h1-23,35-38H,24-28H2/t35-,36+,37+,38+/m0/s1
InChIKeyUDTJEWOOZIGFHE-ZPAWJIGKSA-N
MW571.72 g/mol
LogP7.97
Rot. Bonds12

About 2-[2-[(2S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]pyridine

2-[2-[(2S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]pyridine (PubChem CID 138964323) has the molecular formula C38H37NO4 and a molecular weight of 571.72 g/mol. Its IUPAC name is 2-[2-[(2S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-[2-[(2S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]pyridine
PubChem CID138964323
Molecular FormulaC38H37NO4
Molecular Weight571.72 g/mol
Exact Mass571.27
IUPAC Name2-[2-[(2S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]pyridine
SMILESc1ccc(COC[C@H]2O[C@H](c3ccccc3-c3ccccn3)C[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C38H37NO4/c1-4-14-29(15-5-1)25-40-28-37-38(42-27-31-18-8-3-9-19-31)36(41-26-30-16-6-2-7-17-30)24-35(43-37)33-21-11-10-20-32(33)34-22-12-13-23-39-34/h1-23,35-38H,24-28H2/t35-,36+,37+,38+/m0/s1
InChIKeyUDTJEWOOZIGFHE-ZPAWJIGKSA-N
XLogP7.97
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.72
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(2S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]pyridine with MolForge

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Related Compounds

(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(pyridin-2-ylmethyl)phenyl]oxane-3,4,5-triol
CID 58843539
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CID 71819538
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4-(2-Adamantyloxymethyl)-2-(trifluoromethyl)pyridine
CID 162400550
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CID 14024159
2-[2-(Methoxymethyl)phenyl]pyridine
CID 88382051
4-(Oxolan-2-yl)-2-phenylpyridine
CID 122366769
4-(1,4-Dioxan-2-yl)-2-phenylpyridine
CID 135025253
(2S)-2-phenyl-4-[[6-[2-(trifluoromethyl)phenyl]pyridin-3-yl]methyl]morpholine
CID 23585156
2-Phenyl-4-[[6-[2-(trifluoromethyl)phenyl]pyridin-3-yl]methyl]morpholine
CID 57849667
2-[4-[Difluoro-[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]oxymethyl]-3,5-difluorophenyl]-5-pentylpyridine
CID 58383352
2-[4-[Difluoro-[4-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]oxymethyl]-3-fluorophenyl]-5-pentylpyridine
CID 58383552

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]pyridine?
The IUPAC name of 2-[2-[(2S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]pyridine (CID 138964323) is 2-[2-[(2S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]pyridine.
What is the SMILES notation for 2-[2-[(2S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]pyridine?
The canonical SMILES for 2-[2-[(2S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]pyridine is c1ccc(COC[C@H]2O[C@H](c3ccccc3-c3ccccn3)C[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1.
What is the InChIKey of 2-[2-[(2S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]pyridine?
The InChIKey is UDTJEWOOZIGFHE-ZPAWJIGKSA-N. The full InChI is InChI=1S/C38H37NO4/c1-4-14-29(15-5-1)25-40-28-37-38(42-27-31-18-8-3-9-19-31)36(41-26-30-16-6-2-7-17-30)24-35(43-37)33-21-11-10-20-32(33)34-22-12-13-23-39-34/h1-23,35-38H,24-28H2/t35-,36+,37+,38+/m0/s1.
What are the key properties of 2-[2-[(2S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]pyridine?
2-[2-[(2S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]pyridine has a molecular weight of 571.72 g/mol, XLogP of 7.97, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]pyridine is sourced from PubChem (CID 138964323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).