(3R,4R,5S,6S)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol

C28H32O6 — CID 11762365

IUPAC(3R,4R,5S,6S)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol
SMILESCOc1ccc(CO[C@@H]2[C@@H](OCc3ccccc3)[C@H](C)OC(O)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C28H32O6/c1-20-25(31-17-21-9-5-3-6-10-21)26(32-19-23-13-15-24(30-2)16-14-23)27(28(29)34-20)33-18-22-11-7-4-8-12-22/h3-16,20,25-29H,17-19H2,1-2H3/t20-,25-,26+,27+,28?/m0/s1
InChIKeySKCOFXBABPWYLV-ZTANDCAXSA-N
MW464.56 g/mol
LogP4.49
Rot. Bonds10

About (3R,4R,5S,6S)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol

(3R,4R,5S,6S)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol (PubChem CID 11762365) has the molecular formula C28H32O6 and a molecular weight of 464.56 g/mol. Its IUPAC name is (3R,4R,5S,6S)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol.

Molecular Properties

Compound Name(3R,4R,5S,6S)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol
PubChem CID11762365
Molecular FormulaC28H32O6
Molecular Weight464.56 g/mol
Exact Mass464.22
IUPAC Name(3R,4R,5S,6S)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol
SMILESCOc1ccc(CO[C@@H]2[C@@H](OCc3ccccc3)[C@H](C)OC(O)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C28H32O6/c1-20-25(31-17-21-9-5-3-6-10-21)26(32-19-23-13-15-24(30-2)16-14-23)27(28(29)34-20)33-18-22-11-7-4-8-12-22/h3-16,20,25-29H,17-19H2,1-2H3/t20-,25-,26+,27+,28?/m0/s1
InChIKeySKCOFXBABPWYLV-ZTANDCAXSA-N
XLogP4.49
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,4R,5S,6S)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol with MolForge

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Related Compounds

(2R,3R,4S,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-methyl-2,4-bis(phenylmethoxy)oxan-3-ol
CID 102237778
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(2S,3R,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 171125035
(2S,3R,4S,5S,6S)-2-[(2R,3S,4S,5R,6R)-6-hydroxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-[(4-methoxyphenyl)methoxy]-6-methyl-4-phenylmethoxyoxan-3-ol
CID 171126595
(1S,2S,3R,4R,5S,6S)-2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11039611
(1R,3S,4R,6R)-5-[(4-methoxyphenyl)methoxy]-2,4,6-tris(phenylmethoxy)cyclohexane-1,3-diol
CID 11071884
(2S,3R,4S,5S,6S)-2-(4-methoxyphenyl)peroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol
CID 102044692
(2S,3R,4R,5R,6S)-2-(4-methoxyphenoxy)-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
CID 25178075
(3R,4S,5R,6R)-3,5-bis[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-6-(trityloxymethyl)oxan-2-ol
CID 10897967
[(2R,4S,5S)-2-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 70841959
[(3S,4R,5R,6S)-2-hydroxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-yl] acetate
CID 14505002
(4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol
CID 122398669

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6S)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol?
The IUPAC name of (3R,4R,5S,6S)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol (CID 11762365) is (3R,4R,5S,6S)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol.
What is the SMILES notation for (3R,4R,5S,6S)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol?
The canonical SMILES for (3R,4R,5S,6S)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol is COc1ccc(CO[C@@H]2[C@@H](OCc3ccccc3)[C@H](C)OC(O)[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of (3R,4R,5S,6S)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol?
The InChIKey is SKCOFXBABPWYLV-ZTANDCAXSA-N. The full InChI is InChI=1S/C28H32O6/c1-20-25(31-17-21-9-5-3-6-10-21)26(32-19-23-13-15-24(30-2)16-14-23)27(28(29)34-20)33-18-22-11-7-4-8-12-22/h3-16,20,25-29H,17-19H2,1-2H3/t20-,25-,26+,27+,28?/m0/s1.
What are the key properties of (3R,4R,5S,6S)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol?
(3R,4R,5S,6S)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol has a molecular weight of 464.56 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6S)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol is sourced from PubChem (CID 11762365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).