5-[(2S,3S)-4-[(2S,3R,5S,6S)-5-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol

C56H42O12 — CID 162880730

About 5-[(2S,3S)-4-[(2S,3R,5S,6S)-5-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol

5-[(2S,3S)-4-[(2S,3R,5S,6S)-5-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol (PubChem CID 162880730) has the molecular formula C56H42O12 and a molecular weight of 906.94 g/mol. Its IUPAC name is 5-[(2S,3S)-4-[(2S,3R,5S,6S)-5-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol.

Molecular Properties

• Compound Name: 5-[(2S,3S)-4-[(2S,3R,5S,6S)-5-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
• PubChem CID: 162880730
• Molecular Formula: C56H42O12
• Molecular Weight: 906.94 g/mol
• Exact Mass: 906.27
• IUPAC Name: 5-[(2S,3S)-4-[(2S,3R,5S,6S)-5-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
• SMILES: Oc1ccc(C=Cc2c3c(cc4c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O4)O[C@H](c2ccc(O)cc2)[C@@H]3c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1
• InChI: InChI=1S/C56H42O12/c57-34-10-1-28(2-11-34)3-18-43-50-46(67-54(29-4-12-35(58)13-5-29)48(50)32-19-38(61)23-39(62)20-32)27-47-51(43)53(56(68-47)31-8-16-37(60)17-9-31)44-25-42(65)26-45-52(44)49(33-21-40(63)24-41(64)22-33)55(66-45)30-6-14-36(59)15-7-30/h1-27,48-49,53-65H/t48-,49-,53+,54+,55+,56+/m0/s1
• InChIKey: GLQOGVYZTTVYKZ-KZCSVIPKSA-N
• XLogP: 11.00
• TPSA: 209.76 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	906.94
LogP ≤ 5	11.00
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3S)-4-[(2S,3R,5S,6S)-5-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol?

The IUPAC name of 5-[(2S,3S)-4-[(2S,3R,5S,6S)-5-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol (CID 162880730) is 5-[(2S,3S)-4-[(2S,3R,5S,6S)-5-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol.

What is the SMILES notation for 5-[(2S,3S)-4-[(2S,3R,5S,6S)-5-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol?

The canonical SMILES for 5-[(2S,3S)-4-[(2S,3R,5S,6S)-5-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol is Oc1ccc(C=Cc2c3c(cc4c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O4)O[C@H](c2ccc(O)cc2)[C@@H]3c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1.

What is the InChIKey of 5-[(2S,3S)-4-[(2S,3R,5S,6S)-5-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol?

The InChIKey is GLQOGVYZTTVYKZ-KZCSVIPKSA-N. The full InChI is InChI=1S/C56H42O12/c57-34-10-1-28(2-11-34)3-18-43-50-46(67-54(29-4-12-35(58)13-5-29)48(50)32-19-38(61)23-39(62)20-32)27-47-51(43)53(56(68-47)31-8-16-37(60)17-9-31)44-25-42(65)26-45-52(44)49(33-21-40(63)24-41(64)22-33)55(66-45)30-6-14-36(59)15-7-30/h1-27,48-49,53-65H/t48-,49-,53+,54+,55+,56+/m0/s1.

What are the key properties of 5-[(2S,3S)-4-[(2S,3R,5S,6S)-5-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol?

5-[(2S,3S)-4-[(2S,3R,5S,6S)-5-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol has a molecular weight of 906.94 g/mol, XLogP of 11.00, 8 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2S,3S)-4-[(2S,3R,5S,6S)-5-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol is sourced from PubChem (CID 162880730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).