(1R,3R,3aS,4R,6S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol

C22H26O8 — CID 11973047

IUPAC(1R,3R,3aS,4R,6S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol
SMILESCOc1ccc([C@@H]2O[C@H](O)[C@H]3[C@@H]2[C@H](O)O[C@H]3c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C22H26O8/c1-25-13-7-5-11(9-15(13)27-3)19-17-18(22(24)29-19)20(30-21(17)23)12-6-8-14(26-2)16(10-12)28-4/h5-10,17-24H,1-4H3/t17-,18-,19-,20-,21-,22+/m0/s1
InChIKeyZODXEYLSGARSCY-KKFDQILXSA-N
MW418.44 g/mol
LogP2.43
Rot. Bonds6

About (1R,3R,3aS,4R,6S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol

(1R,3R,3aS,4R,6S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol (PubChem CID 11973047) has the molecular formula C22H26O8 and a molecular weight of 418.44 g/mol. Its IUPAC name is (1R,3R,3aS,4R,6S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol.

Molecular Properties

Compound Name(1R,3R,3aS,4R,6S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol
PubChem CID11973047
Molecular FormulaC22H26O8
Molecular Weight418.44 g/mol
Exact Mass418.16
IUPAC Name(1R,3R,3aS,4R,6S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol
SMILESCOc1ccc([C@@H]2O[C@H](O)[C@H]3[C@@H]2[C@H](O)O[C@H]3c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C22H26O8/c1-25-13-7-5-11(9-15(13)27-3)19-17-18(22(24)29-19)20(30-21(17)23)12-6-8-14(26-2)16(10-12)28-4/h5-10,17-24H,1-4H3/t17-,18-,19-,20-,21-,22+/m0/s1
InChIKeyZODXEYLSGARSCY-KKFDQILXSA-N
XLogP2.43
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (1R,3R,3aS,4R,6S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol with MolForge

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Related Compounds

4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol
CID 51694144
5-[(2S,3S,4S,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 102353917
methyl (2R,3S)-3-(3,4-dimethoxyphenyl)oxirane-2-carboxylate
CID 15262478
4-[(2S,3R,4S,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
CID 163044948
4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
CID 131751451
(3R,3aR,4S,6R,6aS)-3,6-bis(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-ol
CID 11749148
(2S,3S,4S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromene-3,4-diol
CID 14991958
2,5-bis(3,4-dimethoxyphenyl)oxolane
CID 13491508
(3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
CID 102352404
(2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 10358378
(2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
CID 6708556
(3S,4S,5R)-5-(3,4-dimethoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-one
CID 163092093

Frequently Asked Questions

What is the IUPAC name of (1R,3R,3aS,4R,6S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol?
The IUPAC name of (1R,3R,3aS,4R,6S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol (CID 11973047) is (1R,3R,3aS,4R,6S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol.
What is the SMILES notation for (1R,3R,3aS,4R,6S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol?
The canonical SMILES for (1R,3R,3aS,4R,6S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol is COc1ccc([C@@H]2O[C@H](O)[C@H]3[C@@H]2[C@H](O)O[C@H]3c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of (1R,3R,3aS,4R,6S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol?
The InChIKey is ZODXEYLSGARSCY-KKFDQILXSA-N. The full InChI is InChI=1S/C22H26O8/c1-25-13-7-5-11(9-15(13)27-3)19-17-18(22(24)29-19)20(30-21(17)23)12-6-8-14(26-2)16(10-12)28-4/h5-10,17-24H,1-4H3/t17-,18-,19-,20-,21-,22+/m0/s1.
What are the key properties of (1R,3R,3aS,4R,6S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol?
(1R,3R,3aS,4R,6S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol has a molecular weight of 418.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,3aS,4R,6S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol is sourced from PubChem (CID 11973047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).