[(2R,3R,4S,5R,6R)-6-[[(2R,4aR,6R,7R,8S,8aR)-7,8-bis[(4-methoxyphenyl)methoxy]-2-naphthalen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-bis[(4-methoxyphenyl)methoxy]-3-(naphthalen-2-ylmethoxy)oxan-2-yl]methanol

C66H68O15 — CID 72696050

About [(2R,3R,4S,5R,6R)-6-[[(2R,4aR,6R,7R,8S,8aR)-7,8-bis[(4-methoxyphenyl)methoxy]-2-naphthalen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-bis[(4-methoxyphenyl)methoxy]-3-(naphthalen-2-ylmethoxy)oxan-2-yl]methanol

[(2R,3R,4S,5R,6R)-6-[[(2R,4aR,6R,7R,8S,8aR)-7,8-bis[(4-methoxyphenyl)methoxy]-2-naphthalen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-bis[(4-methoxyphenyl)methoxy]-3-(naphthalen-2-ylmethoxy)oxan-2-yl]methanol (PubChem CID 72696050) has the molecular formula C66H68O15 and a molecular weight of 1101.25 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-6-[[(2R,4aR,6R,7R,8S,8aR)-7,8-bis[(4-methoxyphenyl)methoxy]-2-naphthalen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-bis[(4-methoxyphenyl)methoxy]-3-(naphthalen-2-ylmethoxy)oxan-2-yl]methanol.

Molecular Properties

• Compound Name: [(2R,3R,4S,5R,6R)-6-[[(2R,4aR,6R,7R,8S,8aR)-7,8-bis[(4-methoxyphenyl)methoxy]-2-naphthalen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-bis[(4-methoxyphenyl)methoxy]-3-(naphthalen-2-ylmethoxy)oxan-2-yl]methanol
• PubChem CID: 72696050
• Molecular Formula: C66H68O15
• Molecular Weight: 1101.25 g/mol
• Exact Mass: 1100.46
• IUPAC Name: [(2R,3R,4S,5R,6R)-6-[[(2R,4aR,6R,7R,8S,8aR)-7,8-bis[(4-methoxyphenyl)methoxy]-2-naphthalen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-bis[(4-methoxyphenyl)methoxy]-3-(naphthalen-2-ylmethoxy)oxan-2-yl]methanol
• SMILES: COc1ccc(CO[C@@H]2[C@@H](OCc3ccc(OC)cc3)[C@@H](O[C@H]3O[C@@H]4CO[C@@H](c5ccc6ccccc6c5)O[C@H]4[C@H](OCc4ccc(OC)cc4)[C@H]3OCc3ccc(OC)cc3)O[C@H](CO)[C@H]2OCc2ccc3ccccc3c2)cc1
• InChI: InChI=1S/C66H68O15/c1-68-52-25-14-42(15-26-52)36-73-60-58(72-40-46-13-22-47-9-5-7-11-49(47)33-46)56(35-67)78-65(62(60)75-38-44-18-29-54(70-3)30-19-44)81-66-63(76-39-45-20-31-55(71-4)32-21-45)61(74-37-43-16-27-53(69-2)28-17-43)59-57(79-66)41-77-64(80-59)51-24-23-48-10-6-8-12-50(48)34-51/h5-34,56-67H,35-41H2,1-4H3/t56-,57-,58-,59-,60+,61+,62-,63-,64-,65-,66-/m1/s1
• InChIKey: JCZNRTCEBNXZKK-VKMDXHRESA-N
• XLogP: 10.83
• TPSA: 149.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 23
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1101.25
LogP ≤ 5	10.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-6-[[(2R,4aR,6R,7R,8S,8aR)-7,8-bis[(4-methoxyphenyl)methoxy]-2-naphthalen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-bis[(4-methoxyphenyl)methoxy]-3-(naphthalen-2-ylmethoxy)oxan-2-yl]methanol?

The IUPAC name of [(2R,3R,4S,5R,6R)-6-[[(2R,4aR,6R,7R,8S,8aR)-7,8-bis[(4-methoxyphenyl)methoxy]-2-naphthalen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-bis[(4-methoxyphenyl)methoxy]-3-(naphthalen-2-ylmethoxy)oxan-2-yl]methanol (CID 72696050) is [(2R,3R,4S,5R,6R)-6-[[(2R,4aR,6R,7R,8S,8aR)-7,8-bis[(4-methoxyphenyl)methoxy]-2-naphthalen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-bis[(4-methoxyphenyl)methoxy]-3-(naphthalen-2-ylmethoxy)oxan-2-yl]methanol.

What is the SMILES notation for [(2R,3R,4S,5R,6R)-6-[[(2R,4aR,6R,7R,8S,8aR)-7,8-bis[(4-methoxyphenyl)methoxy]-2-naphthalen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-bis[(4-methoxyphenyl)methoxy]-3-(naphthalen-2-ylmethoxy)oxan-2-yl]methanol?

The canonical SMILES for [(2R,3R,4S,5R,6R)-6-[[(2R,4aR,6R,7R,8S,8aR)-7,8-bis[(4-methoxyphenyl)methoxy]-2-naphthalen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-bis[(4-methoxyphenyl)methoxy]-3-(naphthalen-2-ylmethoxy)oxan-2-yl]methanol is COc1ccc(CO[C@@H]2[C@@H](OCc3ccc(OC)cc3)[C@@H](O[C@H]3O[C@@H]4CO[C@@H](c5ccc6ccccc6c5)O[C@H]4[C@H](OCc4ccc(OC)cc4)[C@H]3OCc3ccc(OC)cc3)O[C@H](CO)[C@H]2OCc2ccc3ccccc3c2)cc1.

What is the InChIKey of [(2R,3R,4S,5R,6R)-6-[[(2R,4aR,6R,7R,8S,8aR)-7,8-bis[(4-methoxyphenyl)methoxy]-2-naphthalen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-bis[(4-methoxyphenyl)methoxy]-3-(naphthalen-2-ylmethoxy)oxan-2-yl]methanol?

The InChIKey is JCZNRTCEBNXZKK-VKMDXHRESA-N. The full InChI is InChI=1S/C66H68O15/c1-68-52-25-14-42(15-26-52)36-73-60-58(72-40-46-13-22-47-9-5-7-11-49(47)33-46)56(35-67)78-65(62(60)75-38-44-18-29-54(70-3)30-19-44)81-66-63(76-39-45-20-31-55(71-4)32-21-45)61(74-37-43-16-27-53(69-2)28-17-43)59-57(79-66)41-77-64(80-59)51-24-23-48-10-6-8-12-50(48)34-51/h5-34,56-67H,35-41H2,1-4H3/t56-,57-,58-,59-,60+,61+,62-,63-,64-,65-,66-/m1/s1.

What are the key properties of [(2R,3R,4S,5R,6R)-6-[[(2R,4aR,6R,7R,8S,8aR)-7,8-bis[(4-methoxyphenyl)methoxy]-2-naphthalen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-bis[(4-methoxyphenyl)methoxy]-3-(naphthalen-2-ylmethoxy)oxan-2-yl]methanol?

[(2R,3R,4S,5R,6R)-6-[[(2R,4aR,6R,7R,8S,8aR)-7,8-bis[(4-methoxyphenyl)methoxy]-2-naphthalen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-bis[(4-methoxyphenyl)methoxy]-3-(naphthalen-2-ylmethoxy)oxan-2-yl]methanol has a molecular weight of 1101.25 g/mol, XLogP of 10.83, 23 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5R,6R)-6-[[(2R,4aR,6R,7R,8S,8aR)-7,8-bis[(4-methoxyphenyl)methoxy]-2-naphthalen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-bis[(4-methoxyphenyl)methoxy]-3-(naphthalen-2-ylmethoxy)oxan-2-yl]methanol is sourced from PubChem (CID 72696050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).