(2R,3R,4R,6R)-6-(4-methoxyphenoxy)-2-methyl-3-[(2S,4R,5R,6R)-6-methyl-4-naphthalen-2-yloxy-5-phenylmethoxyoxan-2-yl]oxy-4-phenylmethoxyoxane

C43H46O8 — CID 177454375

IUPAC(2R,3R,4R,6R)-6-(4-methoxyphenoxy)-2-methyl-3-[(2S,4R,5R,6R)-6-methyl-4-naphthalen-2-yloxy-5-phenylmethoxyoxan-2-yl]oxy-4-phenylmethoxyoxane
SMILESCOc1ccc(O[C@@H]2C[C@@H](OCc3ccccc3)[C@H](O[C@H]3C[C@@H](Oc4ccc5ccccc5c4)[C@H](OCc4ccccc4)[C@@H](C)O3)[C@@H](C)O2)cc1
InChIInChI=1S/C43H46O8/c1-29-42(46-28-32-14-8-5-9-15-32)39(49-37-19-18-33-16-10-11-17-34(33)24-37)26-41(47-29)51-43-30(2)48-40(50-36-22-20-35(44-3)21-23-36)25-38(43)45-27-31-12-6-4-7-13-31/h4-24,29-30,38-43H,25-28H2,1-3H3/t29-,30-,38-,39-,40-,41+,42-,43-/m1/s1
InChIKeyZHYSWYNCPGNPHN-QCUNADHGSA-N
MW690.83 g/mol
LogP8.50
Rot. Bonds13

About (2R,3R,4R,6R)-6-(4-methoxyphenoxy)-2-methyl-3-[(2S,4R,5R,6R)-6-methyl-4-naphthalen-2-yloxy-5-phenylmethoxyoxan-2-yl]oxy-4-phenylmethoxyoxane

(2R,3R,4R,6R)-6-(4-methoxyphenoxy)-2-methyl-3-[(2S,4R,5R,6R)-6-methyl-4-naphthalen-2-yloxy-5-phenylmethoxyoxan-2-yl]oxy-4-phenylmethoxyoxane (PubChem CID 177454375) has the molecular formula C43H46O8 and a molecular weight of 690.83 g/mol. Its IUPAC name is (2R,3R,4R,6R)-6-(4-methoxyphenoxy)-2-methyl-3-[(2S,4R,5R,6R)-6-methyl-4-naphthalen-2-yloxy-5-phenylmethoxyoxan-2-yl]oxy-4-phenylmethoxyoxane.

Molecular Properties

Compound Name(2R,3R,4R,6R)-6-(4-methoxyphenoxy)-2-methyl-3-[(2S,4R,5R,6R)-6-methyl-4-naphthalen-2-yloxy-5-phenylmethoxyoxan-2-yl]oxy-4-phenylmethoxyoxane
PubChem CID177454375
Molecular FormulaC43H46O8
Molecular Weight690.83 g/mol
Exact Mass690.32
IUPAC Name(2R,3R,4R,6R)-6-(4-methoxyphenoxy)-2-methyl-3-[(2S,4R,5R,6R)-6-methyl-4-naphthalen-2-yloxy-5-phenylmethoxyoxan-2-yl]oxy-4-phenylmethoxyoxane
SMILESCOc1ccc(O[C@@H]2C[C@@H](OCc3ccccc3)[C@H](O[C@H]3C[C@@H](Oc4ccc5ccccc5c4)[C@H](OCc4ccccc4)[C@@H](C)O3)[C@@H](C)O2)cc1
InChIInChI=1S/C43H46O8/c1-29-42(46-28-32-14-8-5-9-15-32)39(49-37-19-18-33-16-10-11-17-34(33)24-37)26-41(47-29)51-43-30(2)48-40(50-36-22-20-35(44-3)21-23-36)25-38(43)45-27-31-12-6-4-7-13-31/h4-24,29-30,38-43H,25-28H2,1-3H3/t29-,30-,38-,39-,40-,41+,42-,43-/m1/s1
InChIKeyZHYSWYNCPGNPHN-QCUNADHGSA-N
XLogP8.50
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.83
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2R,3R,4R,6R)-6-(4-methoxyphenoxy)-2-methyl-3-[(2S,4R,5R,6R)-6-methyl-4-naphthalen-2-yloxy-5-phenylmethoxyoxan-2-yl]oxy-4-phenylmethoxyoxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4R,5R,6R)-5-[(2S,4R,5R,6R)-5-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-methyloxan-2-yl]oxy-6-methyl-4-phenylmethoxyoxan-2-ol
CID 171126123
(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-ol
CID 102276288
(2S,3R,4R,5S,6S)-2-methyl-4-naphthalen-2-yloxy-3,5-bis(phenylmethoxy)-6-phenylsulfanyloxane
CID 101470570
(2S,3R,4R,5R,6S)-2-(4-methoxyphenoxy)-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
CID 25178075
[(2R,3S,4R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyoxan-2-yl]methanol
CID 56965248
(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol
CID 126612131
(3R,4R,5S,6S)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol
CID 11762365
(4R,6S)-6-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 126612116
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
[(2R,3R,4S,5S,6R)-5-benzoyloxy-6-(4-methoxyphenoxy)-2-methyl-4-phenylmethoxyoxan-3-yl] benzoate
CID 102405341
(2R,3R,4S,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-methyl-2,4-bis(phenylmethoxy)oxan-3-ol
CID 102237778
N,N,2,6-tetramethyl-3-[6-methyl-5-(6-methyl-4-phenylmethoxy-5-trimethylsilyloxyoxan-2-yl)oxy-4-phenylmethoxyoxan-2-yl]oxyoxan-4-amine
CID 59942030

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,6R)-6-(4-methoxyphenoxy)-2-methyl-3-[(2S,4R,5R,6R)-6-methyl-4-naphthalen-2-yloxy-5-phenylmethoxyoxan-2-yl]oxy-4-phenylmethoxyoxane?
The IUPAC name of (2R,3R,4R,6R)-6-(4-methoxyphenoxy)-2-methyl-3-[(2S,4R,5R,6R)-6-methyl-4-naphthalen-2-yloxy-5-phenylmethoxyoxan-2-yl]oxy-4-phenylmethoxyoxane (CID 177454375) is (2R,3R,4R,6R)-6-(4-methoxyphenoxy)-2-methyl-3-[(2S,4R,5R,6R)-6-methyl-4-naphthalen-2-yloxy-5-phenylmethoxyoxan-2-yl]oxy-4-phenylmethoxyoxane.
What is the SMILES notation for (2R,3R,4R,6R)-6-(4-methoxyphenoxy)-2-methyl-3-[(2S,4R,5R,6R)-6-methyl-4-naphthalen-2-yloxy-5-phenylmethoxyoxan-2-yl]oxy-4-phenylmethoxyoxane?
The canonical SMILES for (2R,3R,4R,6R)-6-(4-methoxyphenoxy)-2-methyl-3-[(2S,4R,5R,6R)-6-methyl-4-naphthalen-2-yloxy-5-phenylmethoxyoxan-2-yl]oxy-4-phenylmethoxyoxane is COc1ccc(O[C@@H]2C[C@@H](OCc3ccccc3)[C@H](O[C@H]3C[C@@H](Oc4ccc5ccccc5c4)[C@H](OCc4ccccc4)[C@@H](C)O3)[C@@H](C)O2)cc1.
What is the InChIKey of (2R,3R,4R,6R)-6-(4-methoxyphenoxy)-2-methyl-3-[(2S,4R,5R,6R)-6-methyl-4-naphthalen-2-yloxy-5-phenylmethoxyoxan-2-yl]oxy-4-phenylmethoxyoxane?
The InChIKey is ZHYSWYNCPGNPHN-QCUNADHGSA-N. The full InChI is InChI=1S/C43H46O8/c1-29-42(46-28-32-14-8-5-9-15-32)39(49-37-19-18-33-16-10-11-17-34(33)24-37)26-41(47-29)51-43-30(2)48-40(50-36-22-20-35(44-3)21-23-36)25-38(43)45-27-31-12-6-4-7-13-31/h4-24,29-30,38-43H,25-28H2,1-3H3/t29-,30-,38-,39-,40-,41+,42-,43-/m1/s1.
What are the key properties of (2R,3R,4R,6R)-6-(4-methoxyphenoxy)-2-methyl-3-[(2S,4R,5R,6R)-6-methyl-4-naphthalen-2-yloxy-5-phenylmethoxyoxan-2-yl]oxy-4-phenylmethoxyoxane?
(2R,3R,4R,6R)-6-(4-methoxyphenoxy)-2-methyl-3-[(2S,4R,5R,6R)-6-methyl-4-naphthalen-2-yloxy-5-phenylmethoxyoxan-2-yl]oxy-4-phenylmethoxyoxane has a molecular weight of 690.83 g/mol, XLogP of 8.50, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,6R)-6-(4-methoxyphenoxy)-2-methyl-3-[(2S,4R,5R,6R)-6-methyl-4-naphthalen-2-yloxy-5-phenylmethoxyoxan-2-yl]oxy-4-phenylmethoxyoxane is sourced from PubChem (CID 177454375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).