(2R,4aR,6S,7S,8S,8aR)-6-[[(2R,4aR,6R,7S,8S,8aR)-6-methoxy-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-8-[[(2R,4aR,6S,7S,8S,8aR)-8-(naphthalen-2-ylmethoxy)-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

C60H60O16 — CID 23627149

About (2R,4aR,6S,7S,8S,8aR)-6-[[(2R,4aR,6R,7S,8S,8aR)-6-methoxy-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-8-[[(2R,4aR,6S,7S,8S,8aR)-8-(naphthalen-2-ylmethoxy)-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

(2R,4aR,6S,7S,8S,8aR)-6-[[(2R,4aR,6R,7S,8S,8aR)-6-methoxy-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-8-[[(2R,4aR,6S,7S,8S,8aR)-8-(naphthalen-2-ylmethoxy)-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (PubChem CID 23627149) has the molecular formula C60H60O16 and a molecular weight of 1037.12 g/mol. Its IUPAC name is (2R,4aR,6S,7S,8S,8aR)-6-[[(2R,4aR,6R,7S,8S,8aR)-6-methoxy-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-8-[[(2R,4aR,6S,7S,8S,8aR)-8-(naphthalen-2-ylmethoxy)-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.

Molecular Properties

• Compound Name: (2R,4aR,6S,7S,8S,8aR)-6-[[(2R,4aR,6R,7S,8S,8aR)-6-methoxy-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-8-[[(2R,4aR,6S,7S,8S,8aR)-8-(naphthalen-2-ylmethoxy)-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
• PubChem CID: 23627149
• Molecular Formula: C60H60O16
• Molecular Weight: 1037.12 g/mol
• Exact Mass: 1036.39
• IUPAC Name: (2R,4aR,6S,7S,8S,8aR)-6-[[(2R,4aR,6R,7S,8S,8aR)-6-methoxy-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-8-[[(2R,4aR,6S,7S,8S,8aR)-8-(naphthalen-2-ylmethoxy)-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
• SMILES: C#CCO[C@@H]1[C@H](O[C@@H]2[C@H](OCC#C)[C@H](O[C@@H]3[C@H](OCC#C)[C@H](OC)O[C@@H]4CO[C@@H](c5ccccc5)O[C@@H]34)O[C@@H]3CO[C@@H](c4ccccc4)O[C@@H]23)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCc1ccc2ccccc2c1
• InChI: InChI=1S/C60H60O16/c1-5-29-62-52-49(65-33-37-27-28-38-19-17-18-26-42(38)32-37)46-43(34-66-55(72-46)39-20-11-8-12-21-39)70-59(52)76-51-48-45(36-68-57(74-48)41-24-15-10-16-25-41)71-60(54(51)64-31-7-3)75-50-47-44(69-58(61-4)53(50)63-30-6-2)35-67-56(73-47)40-22-13-9-14-23-40/h1-3,8-28,32,43-60H,29-31,33-36H2,4H3/t43-,44-,45-,46-,47-,48-,49+,50+,51+,52+,53+,54+,55-,56-,57-,58-,59+,60+/m1/s1
• InChIKey: CYOZAVFJRLXFEJ-HJSDEXBYSA-N
• XLogP: 6.71
• TPSA: 147.68 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1037.12
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,6S,7S,8S,8aR)-6-[[(2R,4aR,6R,7S,8S,8aR)-6-methoxy-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-8-[[(2R,4aR,6S,7S,8S,8aR)-8-(naphthalen-2-ylmethoxy)-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?

The IUPAC name of (2R,4aR,6S,7S,8S,8aR)-6-[[(2R,4aR,6R,7S,8S,8aR)-6-methoxy-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-8-[[(2R,4aR,6S,7S,8S,8aR)-8-(naphthalen-2-ylmethoxy)-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (CID 23627149) is (2R,4aR,6S,7S,8S,8aR)-6-[[(2R,4aR,6R,7S,8S,8aR)-6-methoxy-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-8-[[(2R,4aR,6S,7S,8S,8aR)-8-(naphthalen-2-ylmethoxy)-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.

What is the SMILES notation for (2R,4aR,6S,7S,8S,8aR)-6-[[(2R,4aR,6R,7S,8S,8aR)-6-methoxy-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-8-[[(2R,4aR,6S,7S,8S,8aR)-8-(naphthalen-2-ylmethoxy)-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?

The canonical SMILES for (2R,4aR,6S,7S,8S,8aR)-6-[[(2R,4aR,6R,7S,8S,8aR)-6-methoxy-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-8-[[(2R,4aR,6S,7S,8S,8aR)-8-(naphthalen-2-ylmethoxy)-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is C#CCO[C@@H]1[C@H](O[C@@H]2[C@H](OCC#C)[C@H](O[C@@H]3[C@H](OCC#C)[C@H](OC)O[C@@H]4CO[C@@H](c5ccccc5)O[C@@H]34)O[C@@H]3CO[C@@H](c4ccccc4)O[C@@H]23)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCc1ccc2ccccc2c1.

What is the InChIKey of (2R,4aR,6S,7S,8S,8aR)-6-[[(2R,4aR,6R,7S,8S,8aR)-6-methoxy-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-8-[[(2R,4aR,6S,7S,8S,8aR)-8-(naphthalen-2-ylmethoxy)-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?

The InChIKey is CYOZAVFJRLXFEJ-HJSDEXBYSA-N. The full InChI is InChI=1S/C60H60O16/c1-5-29-62-52-49(65-33-37-27-28-38-19-17-18-26-42(38)32-37)46-43(34-66-55(72-46)39-20-11-8-12-21-39)70-59(52)76-51-48-45(36-68-57(74-48)41-24-15-10-16-25-41)71-60(54(51)64-31-7-3)75-50-47-44(69-58(61-4)53(50)63-30-6-2)35-67-56(73-47)40-22-13-9-14-23-40/h1-3,8-28,32,43-60H,29-31,33-36H2,4H3/t43-,44-,45-,46-,47-,48-,49+,50+,51+,52+,53+,54+,55-,56-,57-,58-,59+,60+/m1/s1.

What are the key properties of (2R,4aR,6S,7S,8S,8aR)-6-[[(2R,4aR,6R,7S,8S,8aR)-6-methoxy-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-8-[[(2R,4aR,6S,7S,8S,8aR)-8-(naphthalen-2-ylmethoxy)-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?

(2R,4aR,6S,7S,8S,8aR)-6-[[(2R,4aR,6R,7S,8S,8aR)-6-methoxy-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-8-[[(2R,4aR,6S,7S,8S,8aR)-8-(naphthalen-2-ylmethoxy)-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine has a molecular weight of 1037.12 g/mol, XLogP of 6.71, 17 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4aR,6S,7S,8S,8aR)-6-[[(2R,4aR,6R,7S,8S,8aR)-6-methoxy-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-8-[[(2R,4aR,6S,7S,8S,8aR)-8-(naphthalen-2-ylmethoxy)-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is sourced from PubChem (CID 23627149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).