(6S,8R,8aR)-8-[[(6S,8R,8aR)-7-hydroxy-8-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol

C34H38O11 — CID 70822987

About (6S,8R,8aR)-8-[[(6S,8R,8aR)-7-hydroxy-8-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol

(6S,8R,8aR)-8-[[(6S,8R,8aR)-7-hydroxy-8-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol (PubChem CID 70822987) has the molecular formula C34H38O11 and a molecular weight of 622.67 g/mol. Its IUPAC name is (6S,8R,8aR)-8-[[(6S,8R,8aR)-7-hydroxy-8-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol.

Molecular Properties

• Compound Name: (6S,8R,8aR)-8-[[(6S,8R,8aR)-7-hydroxy-8-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
• PubChem CID: 70822987
• Molecular Formula: C34H38O11
• Molecular Weight: 622.67 g/mol
• Exact Mass: 622.24
• IUPAC Name: (6S,8R,8aR)-8-[[(6S,8R,8aR)-7-hydroxy-8-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
• SMILES: CO[C@@H]1C(O)[C@H](O[C@@H]2C(O)[C@@H](OCc3ccccc3)OC3COC(c4ccccc4)O[C@H]32)OC2COC(c3ccccc3)O[C@H]21
• InChI: InChI=1S/C34H38O11/c1-37-29-25(35)34(42-23-18-39-31(43-27(23)29)21-13-7-3-8-14-21)45-30-26(36)33(38-17-20-11-5-2-6-12-20)41-24-19-40-32(44-28(24)30)22-15-9-4-10-16-22/h2-16,23-36H,17-19H2,1H3/t23?,24?,25?,26?,27-,28-,29-,30-,31?,32?,33+,34+/m1/s1
• InChIKey: OIJJXBCLAZKEBI-XVUBYUBBSA-N
• XLogP: 3.00
• TPSA: 123.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.67
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (6S,8R,8aR)-8-[[(6S,8R,8aR)-7-hydroxy-8-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol?

The IUPAC name of (6S,8R,8aR)-8-[[(6S,8R,8aR)-7-hydroxy-8-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol (CID 70822987) is (6S,8R,8aR)-8-[[(6S,8R,8aR)-7-hydroxy-8-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol.

What is the SMILES notation for (6S,8R,8aR)-8-[[(6S,8R,8aR)-7-hydroxy-8-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol?

The canonical SMILES for (6S,8R,8aR)-8-[[(6S,8R,8aR)-7-hydroxy-8-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol is CO[C@@H]1C(O)[C@H](O[C@@H]2C(O)[C@@H](OCc3ccccc3)OC3COC(c4ccccc4)O[C@H]32)OC2COC(c3ccccc3)O[C@H]21.

What is the InChIKey of (6S,8R,8aR)-8-[[(6S,8R,8aR)-7-hydroxy-8-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol?

The InChIKey is OIJJXBCLAZKEBI-XVUBYUBBSA-N. The full InChI is InChI=1S/C34H38O11/c1-37-29-25(35)34(42-23-18-39-31(43-27(23)29)21-13-7-3-8-14-21)45-30-26(36)33(38-17-20-11-5-2-6-12-20)41-24-19-40-32(44-28(24)30)22-15-9-4-10-16-22/h2-16,23-36H,17-19H2,1H3/t23?,24?,25?,26?,27-,28-,29-,30-,31?,32?,33+,34+/m1/s1.

What are the key properties of (6S,8R,8aR)-8-[[(6S,8R,8aR)-7-hydroxy-8-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol?

(6S,8R,8aR)-8-[[(6S,8R,8aR)-7-hydroxy-8-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol has a molecular weight of 622.67 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (6S,8R,8aR)-8-[[(6S,8R,8aR)-7-hydroxy-8-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol is sourced from PubChem (CID 70822987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).