(2S,3R,4S,5R,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol

C34H36O7 — CID 10769142

IUPAC(2S,3R,4S,5R,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
SMILESCOc1ccc(O[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](O)[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C34H36O7/c1-36-28-17-19-29(20-18-28)40-34-33(39-23-27-15-9-4-10-16-27)31(35)32(38-22-26-13-7-3-8-14-26)30(41-34)24-37-21-25-11-5-2-6-12-25/h2-20,30-35H,21-24H2,1H3/t30-,31+,32+,33-,34-/m1/s1
InChIKeyMKHXZYRDXXUJMR-BWNLSPMZSA-N
MW556.66 g/mol
LogP5.55
Rot. Bonds13

About (2S,3R,4S,5R,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol

(2S,3R,4S,5R,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol (PubChem CID 10769142) has the molecular formula C34H36O7 and a molecular weight of 556.66 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
PubChem CID10769142
Molecular FormulaC34H36O7
Molecular Weight556.66 g/mol
Exact Mass556.25
IUPAC Name(2S,3R,4S,5R,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
SMILESCOc1ccc(O[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](O)[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C34H36O7/c1-36-28-17-19-29(20-18-28)40-34-33(39-23-27-15-9-4-10-16-27)31(35)32(38-22-26-13-7-3-8-14-26)30(41-34)24-37-21-25-11-5-2-6-12-25/h2-20,30-35H,21-24H2,1H3/t30-,31+,32+,33-,34-/m1/s1
InChIKeyMKHXZYRDXXUJMR-BWNLSPMZSA-N
XLogP5.55
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.66
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R,6R)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol
CID 138967093
(2S,3R,4R,5R,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-4-carbaldehyde
CID 10555028
(2R,3R,4S,5R,6R)-2-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 10863561
(2S,3R,4R,5R,6S)-2-(4-methoxyphenoxy)-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
CID 25178075
(2S,3R,4S,5R,6R)-5-phenoxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 13083854
(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933
(2R,3S,4R,5S,6R)-2-hydroperoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 102260445
(2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-4-hydroxy-3-[(2R,3S,4S,5R)-3-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]-4-phenylmethoxyoxolan-2-yl]oxy-5-methoxyoxolan-2-yl]methoxy]-5-[(4-methoxyphenyl)methoxymethyl]-4-phenylmethoxyoxolan-3-ol
CID 102415998
6-(4-methoxyphenoxy)-5-methyl-2-(phenylmethoxymethyl)oxane-3,4-diol
CID 59863611
4-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyphenol
CID 134277169
(2R,3R,4R,5S,6R)-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxane-3,4-diol
CID 102496220
(2R,3S,4S,5R,6S)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-ol
CID 10557933

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol?
The IUPAC name of (2S,3R,4S,5R,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol (CID 10769142) is (2S,3R,4S,5R,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol.
What is the SMILES notation for (2S,3R,4S,5R,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol?
The canonical SMILES for (2S,3R,4S,5R,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol is COc1ccc(O[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](O)[C@H]2OCc2ccccc2)cc1.
What is the InChIKey of (2S,3R,4S,5R,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol?
The InChIKey is MKHXZYRDXXUJMR-BWNLSPMZSA-N. The full InChI is InChI=1S/C34H36O7/c1-36-28-17-19-29(20-18-28)40-34-33(39-23-27-15-9-4-10-16-27)31(35)32(38-22-26-13-7-3-8-14-26)30(41-34)24-37-21-25-11-5-2-6-12-25/h2-20,30-35H,21-24H2,1H3/t30-,31+,32+,33-,34-/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol?
(2S,3R,4S,5R,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol has a molecular weight of 556.66 g/mol, XLogP of 5.55, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol is sourced from PubChem (CID 10769142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).