(2R,3R,4S,5S,6R)-3,4-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-2-ol

C23H30O7 — CID 171123644

IUPAC(2R,3R,4S,5S,6R)-3,4-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-2-ol
SMILESCOc1ccc(COC[C@H]2O[C@@H](O)[C@H](OC)[C@@H](OC)[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C23H30O7/c1-25-18-11-9-17(10-12-18)13-28-15-19-20(29-14-16-7-5-4-6-8-16)21(26-2)22(27-3)23(24)30-19/h4-12,19-24H,13-15H2,1-3H3/t19-,20+,21+,22-,23-/m1/s1
InChIKeySRPMPQWSBJZDKW-BMXMUORJSA-N
MW418.49 g/mol
LogP2.54
Rot. Bonds10

About (2R,3R,4S,5S,6R)-3,4-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-2-ol

(2R,3R,4S,5S,6R)-3,4-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-2-ol (PubChem CID 171123644) has the molecular formula C23H30O7 and a molecular weight of 418.49 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-3,4-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-2-ol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-3,4-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-2-ol
PubChem CID171123644
Molecular FormulaC23H30O7
Molecular Weight418.49 g/mol
Exact Mass418.20
IUPAC Name(2R,3R,4S,5S,6R)-3,4-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-2-ol
SMILESCOc1ccc(COC[C@H]2O[C@@H](O)[C@H](OC)[C@@H](OC)[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C23H30O7/c1-25-18-11-9-17(10-12-18)13-28-15-19-20(29-14-16-7-5-4-6-8-16)21(26-2)22(27-3)23(24)30-19/h4-12,19-24H,13-15H2,1-3H3/t19-,20+,21+,22-,23-/m1/s1
InChIKeySRPMPQWSBJZDKW-BMXMUORJSA-N
XLogP2.54
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3R,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 171125035
(2S,3R,4S,5R,6R)-4-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 70185855
(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-amino-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-5-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)oxan-2-ol
CID 171124149
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 12933787
(2S,3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076892
(2R,3R,4R,5S,6R)-3-(4-methoxyanilino)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 171124334
(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,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol
CID 171122948
(2S,3R,4S,5S,6R)-2-fluoro-4-[(4-methoxyphenyl)methoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10951949
(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
(3S,4S,5S,6S)-4-(4-methoxyanilino)-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol
CID 10814024

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-3,4-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-2-ol?
The IUPAC name of (2R,3R,4S,5S,6R)-3,4-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-2-ol (CID 171123644) is (2R,3R,4S,5S,6R)-3,4-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-2-ol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-3,4-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-2-ol?
The canonical SMILES for (2R,3R,4S,5S,6R)-3,4-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-2-ol is COc1ccc(COC[C@H]2O[C@@H](O)[C@H](OC)[C@@H](OC)[C@H]2OCc2ccccc2)cc1.
What is the InChIKey of (2R,3R,4S,5S,6R)-3,4-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-2-ol?
The InChIKey is SRPMPQWSBJZDKW-BMXMUORJSA-N. The full InChI is InChI=1S/C23H30O7/c1-25-18-11-9-17(10-12-18)13-28-15-19-20(29-14-16-7-5-4-6-8-16)21(26-2)22(27-3)23(24)30-19/h4-12,19-24H,13-15H2,1-3H3/t19-,20+,21+,22-,23-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-3,4-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-2-ol?
(2R,3R,4S,5S,6R)-3,4-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-2-ol has a molecular weight of 418.49 g/mol, XLogP of 2.54, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-3,4-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-2-ol is sourced from PubChem (CID 171123644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).