(4aR,6S,7R,8S,8aR)-6-methoxy-8-naphthalen-2-yloxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

C31H30O6 — CID 177405126

About (4aR,6S,7R,8S,8aR)-6-methoxy-8-naphthalen-2-yloxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

(4aR,6S,7R,8S,8aR)-6-methoxy-8-naphthalen-2-yloxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (PubChem CID 177405126) has the molecular formula C31H30O6 and a molecular weight of 498.58 g/mol. Its IUPAC name is (4aR,6S,7R,8S,8aR)-6-methoxy-8-naphthalen-2-yloxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.

Molecular Properties

• Compound Name: (4aR,6S,7R,8S,8aR)-6-methoxy-8-naphthalen-2-yloxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
• PubChem CID: 177405126
• Molecular Formula: C31H30O6
• Molecular Weight: 498.58 g/mol
• Exact Mass: 498.20
• IUPAC Name: (4aR,6S,7R,8S,8aR)-6-methoxy-8-naphthalen-2-yloxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
• SMILES: CO[C@H]1O[C@@H]2COC(c3ccccc3)O[C@H]2[C@H](Oc2ccc3ccccc3c2)[C@H]1OCc1ccccc1
• InChI: InChI=1S/C31H30O6/c1-32-31-29(33-19-21-10-4-2-5-11-21)28(35-25-17-16-22-12-8-9-15-24(22)18-25)27-26(36-31)20-34-30(37-27)23-13-6-3-7-14-23/h2-18,26-31H,19-20H2,1H3/t26-,27-,28+,29-,30?,31+/m1/s1
• InChIKey: UPVDPXBCNRRECI-HMQNZOLESA-N
• XLogP: 5.66
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.58
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4aR,6S,7R,8S,8aR)-6-methoxy-8-naphthalen-2-yloxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?

The IUPAC name of (4aR,6S,7R,8S,8aR)-6-methoxy-8-naphthalen-2-yloxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (CID 177405126) is (4aR,6S,7R,8S,8aR)-6-methoxy-8-naphthalen-2-yloxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.

What is the SMILES notation for (4aR,6S,7R,8S,8aR)-6-methoxy-8-naphthalen-2-yloxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?

The canonical SMILES for (4aR,6S,7R,8S,8aR)-6-methoxy-8-naphthalen-2-yloxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is CO[C@H]1O[C@@H]2COC(c3ccccc3)O[C@H]2[C@H](Oc2ccc3ccccc3c2)[C@H]1OCc1ccccc1.

What is the InChIKey of (4aR,6S,7R,8S,8aR)-6-methoxy-8-naphthalen-2-yloxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?

The InChIKey is UPVDPXBCNRRECI-HMQNZOLESA-N. The full InChI is InChI=1S/C31H30O6/c1-32-31-29(33-19-21-10-4-2-5-11-21)28(35-25-17-16-22-12-8-9-15-24(22)18-25)27-26(36-31)20-34-30(37-27)23-13-6-3-7-14-23/h2-18,26-31H,19-20H2,1H3/t26-,27-,28+,29-,30?,31+/m1/s1.

What are the key properties of (4aR,6S,7R,8S,8aR)-6-methoxy-8-naphthalen-2-yloxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?

(4aR,6S,7R,8S,8aR)-6-methoxy-8-naphthalen-2-yloxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine has a molecular weight of 498.58 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4aR,6S,7R,8S,8aR)-6-methoxy-8-naphthalen-2-yloxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is sourced from PubChem (CID 177405126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).