(4aR,6R,8aS)-6-[[(4aR,6R,7R,8R,8aS)-2-(4-ethenylphenyl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-(4-ethenylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol

C30H34O11 — CID 118888928

About (4aR,6R,8aS)-6-[[(4aR,6R,7R,8R,8aS)-2-(4-ethenylphenyl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-(4-ethenylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol

(4aR,6R,8aS)-6-[[(4aR,6R,7R,8R,8aS)-2-(4-ethenylphenyl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-(4-ethenylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (PubChem CID 118888928) has the molecular formula C30H34O11 and a molecular weight of 570.59 g/mol. Its IUPAC name is (4aR,6R,8aS)-6-[[(4aR,6R,7R,8R,8aS)-2-(4-ethenylphenyl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-(4-ethenylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol.

Molecular Properties

• Compound Name: (4aR,6R,8aS)-6-[[(4aR,6R,7R,8R,8aS)-2-(4-ethenylphenyl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-(4-ethenylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
• PubChem CID: 118888928
• Molecular Formula: C30H34O11
• Molecular Weight: 570.59 g/mol
• Exact Mass: 570.21
• IUPAC Name: (4aR,6R,8aS)-6-[[(4aR,6R,7R,8R,8aS)-2-(4-ethenylphenyl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-(4-ethenylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
• SMILES: C=Cc1ccc(C2OC[C@H]3O[C@H](O[C@H]4O[C@@H]5COC(c6ccc(C=C)cc6)O[C@H]5C(O)C4O)[C@H](O)[C@@H](O)[C@@H]3O2)cc1
• InChI: InChI=1S/C30H34O11/c1-3-15-5-9-17(10-6-15)27-35-13-19-25(39-27)21(31)23(33)29(37-19)41-30-24(34)22(32)26-20(38-30)14-36-28(40-26)18-11-7-16(4-2)8-12-18/h3-12,19-34H,1-2,13-14H2/t19-,20-,21-,22?,23-,24?,25-,26-,27?,28?,29-,30-/m1/s1
• InChIKey: YSMIQZQARUOCNZ-SQDZKFKWSA-N
• XLogP: 1.41
• TPSA: 145.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.59
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (4aR,6R,8aS)-6-[[(4aR,6R,7R,8R,8aS)-2-(4-ethenylphenyl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-(4-ethenylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?

The IUPAC name of (4aR,6R,8aS)-6-[[(4aR,6R,7R,8R,8aS)-2-(4-ethenylphenyl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-(4-ethenylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (CID 118888928) is (4aR,6R,8aS)-6-[[(4aR,6R,7R,8R,8aS)-2-(4-ethenylphenyl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-(4-ethenylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol.

What is the SMILES notation for (4aR,6R,8aS)-6-[[(4aR,6R,7R,8R,8aS)-2-(4-ethenylphenyl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-(4-ethenylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?

The canonical SMILES for (4aR,6R,8aS)-6-[[(4aR,6R,7R,8R,8aS)-2-(4-ethenylphenyl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-(4-ethenylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol is C=Cc1ccc(C2OC[C@H]3O[C@H](O[C@H]4O[C@@H]5COC(c6ccc(C=C)cc6)O[C@H]5C(O)C4O)[C@H](O)[C@@H](O)[C@@H]3O2)cc1.

What is the InChIKey of (4aR,6R,8aS)-6-[[(4aR,6R,7R,8R,8aS)-2-(4-ethenylphenyl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-(4-ethenylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?

The InChIKey is YSMIQZQARUOCNZ-SQDZKFKWSA-N. The full InChI is InChI=1S/C30H34O11/c1-3-15-5-9-17(10-6-15)27-35-13-19-25(39-27)21(31)23(33)29(37-19)41-30-24(34)22(32)26-20(38-30)14-36-28(40-26)18-11-7-16(4-2)8-12-18/h3-12,19-34H,1-2,13-14H2/t19-,20-,21-,22?,23-,24?,25-,26-,27?,28?,29-,30-/m1/s1.

What are the key properties of (4aR,6R,8aS)-6-[[(4aR,6R,7R,8R,8aS)-2-(4-ethenylphenyl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-(4-ethenylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?

(4aR,6R,8aS)-6-[[(4aR,6R,7R,8R,8aS)-2-(4-ethenylphenyl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-(4-ethenylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol has a molecular weight of 570.59 g/mol, XLogP of 1.41, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (4aR,6R,8aS)-6-[[(4aR,6R,7R,8R,8aS)-2-(4-ethenylphenyl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-(4-ethenylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol is sourced from PubChem (CID 118888928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).