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

C28H32O6 — CID 102237778

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

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

(2R,3R,4S,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-methyl-2,4-bis(phenylmethoxy)oxan-3-ol (PubChem CID 102237778) has the molecular formula C28H32O6 and a molecular weight of 464.56 g/mol. Its IUPAC name is (2R,3R,4S,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-methyl-2,4-bis(phenylmethoxy)oxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-methyl-2,4-bis(phenylmethoxy)oxan-3-ol
PubChem CID102237778
Molecular FormulaC28H32O6
Molecular Weight464.56 g/mol
Exact Mass464.22
IUPAC Name(2R,3R,4S,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-methyl-2,4-bis(phenylmethoxy)oxan-3-ol
SMILESCOc1ccc(CO[C@@H]2[C@@H](OCc3ccccc3)[C@@H](O)[C@H](OCc3ccccc3)O[C@H]2C)cc1
InChIInChI=1S/C28H32O6/c1-20-26(31-18-23-13-15-24(30-2)16-14-23)27(32-17-21-9-5-3-6-10-21)25(29)28(34-20)33-19-22-11-7-4-8-12-22/h3-16,20,25-29H,17-19H2,1-2H3/t20-,25+,26-,27-,28+/m0/s1
InChIKeyJPVIOHDLTVFXAZ-GWEDQHIASA-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

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Related Compounds

(2S,3R,4S,5S,6S)-2-(4-methoxyphenyl)peroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol
CID 102044692
(3R,4R,5S,6S)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol
CID 11762365
(2S,3R,4S,5S,6S)-2-methoxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol
CID 10808327
(2S,3R,4R,5R,6S)-2-(4-methoxyphenoxy)-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
CID 25178075
(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
6-methyl-2-[6-methyl-2,4,5-tris(phenylmethoxy)oxan-3-yl]oxy-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxyoxan-3-ol
CID 163088861
(2R,3S,4S,5R,6R)-2-methyl-3,5,6-tris(phenylmethoxy)oxan-4-ol
CID 11080578
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,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol
CID 1284354
(2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol
CID 102303729

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-methyl-2,4-bis(phenylmethoxy)oxan-3-ol?
The IUPAC name of (2R,3R,4S,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-methyl-2,4-bis(phenylmethoxy)oxan-3-ol (CID 102237778) is (2R,3R,4S,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-methyl-2,4-bis(phenylmethoxy)oxan-3-ol.
What is the SMILES notation for (2R,3R,4S,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-methyl-2,4-bis(phenylmethoxy)oxan-3-ol?
The canonical SMILES for (2R,3R,4S,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-methyl-2,4-bis(phenylmethoxy)oxan-3-ol is COc1ccc(CO[C@@H]2[C@@H](OCc3ccccc3)[C@@H](O)[C@H](OCc3ccccc3)O[C@H]2C)cc1.
What is the InChIKey of (2R,3R,4S,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-methyl-2,4-bis(phenylmethoxy)oxan-3-ol?
The InChIKey is JPVIOHDLTVFXAZ-GWEDQHIASA-N. The full InChI is InChI=1S/C28H32O6/c1-20-26(31-18-23-13-15-24(30-2)16-14-23)27(32-17-21-9-5-3-6-10-21)25(29)28(34-20)33-19-22-11-7-4-8-12-22/h3-16,20,25-29H,17-19H2,1-2H3/t20-,25+,26-,27-,28+/m0/s1.
What are the key properties of (2R,3R,4S,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-methyl-2,4-bis(phenylmethoxy)oxan-3-ol?
(2R,3R,4S,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-methyl-2,4-bis(phenylmethoxy)oxan-3-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 (2R,3R,4S,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-methyl-2,4-bis(phenylmethoxy)oxan-3-ol is sourced from PubChem (CID 102237778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).