(2R,3R,4R)-5-methoxy-2-[(4-methoxyphenoxy)methyl]-4-phenylmethoxyoxolan-3-ol

C20H24O6 — CID 135343842

IUPAC(2R,3R,4R)-5-methoxy-2-[(4-methoxyphenoxy)methyl]-4-phenylmethoxyoxolan-3-ol
SMILESCOc1ccc(OC[C@H]2OC(OC)[C@H](OCc3ccccc3)[C@@H]2O)cc1
InChIInChI=1S/C20H24O6/c1-22-15-8-10-16(11-9-15)24-13-17-18(21)19(20(23-2)26-17)25-12-14-6-4-3-5-7-14/h3-11,17-21H,12-13H2,1-2H3/t17-,18-,19-,20?/m1/s1
InChIKeyRSEDSTAEZUOXOV-SDWZKWEYSA-N
MW360.41 g/mol
LogP2.39
Rot. Bonds8

About (2R,3R,4R)-5-methoxy-2-[(4-methoxyphenoxy)methyl]-4-phenylmethoxyoxolan-3-ol

(2R,3R,4R)-5-methoxy-2-[(4-methoxyphenoxy)methyl]-4-phenylmethoxyoxolan-3-ol (PubChem CID 135343842) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2R,3R,4R)-5-methoxy-2-[(4-methoxyphenoxy)methyl]-4-phenylmethoxyoxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R)-5-methoxy-2-[(4-methoxyphenoxy)methyl]-4-phenylmethoxyoxolan-3-ol
PubChem CID135343842
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Name(2R,3R,4R)-5-methoxy-2-[(4-methoxyphenoxy)methyl]-4-phenylmethoxyoxolan-3-ol
SMILESCOc1ccc(OC[C@H]2OC(OC)[C@H](OCc3ccccc3)[C@@H]2O)cc1
InChIInChI=1S/C20H24O6/c1-22-15-8-10-16(11-9-15)24-13-17-18(21)19(20(23-2)26-17)25-12-14-6-4-3-5-7-14/h3-11,17-21H,12-13H2,1-2H3/t17-,18-,19-,20?/m1/s1
InChIKeyRSEDSTAEZUOXOV-SDWZKWEYSA-N
XLogP2.39
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,6R)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol
CID 138967093
[(2R,3R,4S,5R,6R)-6-methoxy-5-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 101103346
[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol
CID 101181245
(2R,3R,4S,5R,6R)-2-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 10863561
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 102185522
(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
(2S,3R,4S,5R,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 10769142
(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
(2R,3R,4R,5R)-5-methoxy-4-(methoxymethoxy)-2-(phenylmethoxymethyl)oxolan-3-ol
CID 101366897
(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol
CID 11734771
(2S,3S,4R,5R)-2-methoxy-5-[(4-methoxyphenyl)methoxymethyl]-3-[(2S,3S,4R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]oxy-4-phenylmethoxyoxolane
CID 46895701
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxane-3,5-diol
CID 10379133

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-5-methoxy-2-[(4-methoxyphenoxy)methyl]-4-phenylmethoxyoxolan-3-ol?
The IUPAC name of (2R,3R,4R)-5-methoxy-2-[(4-methoxyphenoxy)methyl]-4-phenylmethoxyoxolan-3-ol (CID 135343842) is (2R,3R,4R)-5-methoxy-2-[(4-methoxyphenoxy)methyl]-4-phenylmethoxyoxolan-3-ol.
What is the SMILES notation for (2R,3R,4R)-5-methoxy-2-[(4-methoxyphenoxy)methyl]-4-phenylmethoxyoxolan-3-ol?
The canonical SMILES for (2R,3R,4R)-5-methoxy-2-[(4-methoxyphenoxy)methyl]-4-phenylmethoxyoxolan-3-ol is COc1ccc(OC[C@H]2OC(OC)[C@H](OCc3ccccc3)[C@@H]2O)cc1.
What is the InChIKey of (2R,3R,4R)-5-methoxy-2-[(4-methoxyphenoxy)methyl]-4-phenylmethoxyoxolan-3-ol?
The InChIKey is RSEDSTAEZUOXOV-SDWZKWEYSA-N. The full InChI is InChI=1S/C20H24O6/c1-22-15-8-10-16(11-9-15)24-13-17-18(21)19(20(23-2)26-17)25-12-14-6-4-3-5-7-14/h3-11,17-21H,12-13H2,1-2H3/t17-,18-,19-,20?/m1/s1.
What are the key properties of (2R,3R,4R)-5-methoxy-2-[(4-methoxyphenoxy)methyl]-4-phenylmethoxyoxolan-3-ol?
(2R,3R,4R)-5-methoxy-2-[(4-methoxyphenoxy)methyl]-4-phenylmethoxyoxolan-3-ol has a molecular weight of 360.41 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-5-methoxy-2-[(4-methoxyphenoxy)methyl]-4-phenylmethoxyoxolan-3-ol is sourced from PubChem (CID 135343842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).