[4-[[(4aR,6S,7S,8S,8aR)-6-[[(4aR,6S,7S,8S,8aR)-6-(1-adamantyloxy)-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxymethyl]-2-fluorophenoxy]-tert-butyl-diphenylsilane

C75H83FO14Si — CID 102425042

About [4-[[(4aR,6S,7S,8S,8aR)-6-[[(4aR,6S,7S,8S,8aR)-6-(1-adamantyloxy)-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxymethyl]-2-fluorophenoxy]-tert-butyl-diphenylsilane

[4-[[(4aR,6S,7S,8S,8aR)-6-[[(4aR,6S,7S,8S,8aR)-6-(1-adamantyloxy)-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxymethyl]-2-fluorophenoxy]-tert-butyl-diphenylsilane (PubChem CID 102425042) has the molecular formula C75H83FO14Si and a molecular weight of 1255.56 g/mol. Its IUPAC name is [4-[[(4aR,6S,7S,8S,8aR)-6-[[(4aR,6S,7S,8S,8aR)-6-(1-adamantyloxy)-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxymethyl]-2-fluorophenoxy]-tert-butyl-diphenylsilane.

Molecular Properties

• Compound Name: [4-[[(4aR,6S,7S,8S,8aR)-6-[[(4aR,6S,7S,8S,8aR)-6-(1-adamantyloxy)-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxymethyl]-2-fluorophenoxy]-tert-butyl-diphenylsilane
• PubChem CID: 102425042
• Molecular Formula: C75H83FO14Si
• Molecular Weight: 1255.56 g/mol
• Exact Mass: 1254.55
• IUPAC Name: [4-[[(4aR,6S,7S,8S,8aR)-6-[[(4aR,6S,7S,8S,8aR)-6-(1-adamantyloxy)-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxymethyl]-2-fluorophenoxy]-tert-butyl-diphenylsilane
• SMILES: COc1ccc(CO[C@@H]2[C@H](O[C@@H]3[C@H](OCc4ccc(OC)cc4)[C@H](OC45CC6CC(CC(C6)C4)C5)O[C@@H]4COC(c5ccccc5)O[C@@H]34)O[C@@H]3COC(c4ccccc4)O[C@H]3[C@@H]2OCc2ccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c(F)c2)cc1
• InChI: InChI=1S/C75H83FO14Si/c1-74(2,3)91(58-22-14-8-15-23-58,59-24-16-9-17-25-59)90-61-35-30-50(39-60(61)76)45-79-66-64-62(46-82-70(86-64)54-18-10-6-11-19-54)84-72(68(66)80-43-48-26-31-56(77-4)32-27-48)88-67-65-63(47-83-71(87-65)55-20-12-7-13-21-55)85-73(69(67)81-44-49-28-33-57(78-5)34-29-49)89-75-40-51-36-52(41-75)38-53(37-51)42-75/h6-35,39,51-53,62-73H,36-38,40-47H2,1-5H3/t51?,52?,53?,62-,63-,64-,65-,66+,67+,68+,69+,70?,71?,72+,73+,75?/m1/s1
• InChIKey: WGKGYQJPCZXWAU-LIQUAOFDSA-N
• XLogP: 12.89
• TPSA: 129.22 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1255.56
LogP ≤ 5	12.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[[(4aR,6S,7S,8S,8aR)-6-[[(4aR,6S,7S,8S,8aR)-6-(1-adamantyloxy)-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxymethyl]-2-fluorophenoxy]-tert-butyl-diphenylsilane?

The IUPAC name of [4-[[(4aR,6S,7S,8S,8aR)-6-[[(4aR,6S,7S,8S,8aR)-6-(1-adamantyloxy)-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxymethyl]-2-fluorophenoxy]-tert-butyl-diphenylsilane (CID 102425042) is [4-[[(4aR,6S,7S,8S,8aR)-6-[[(4aR,6S,7S,8S,8aR)-6-(1-adamantyloxy)-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxymethyl]-2-fluorophenoxy]-tert-butyl-diphenylsilane.

What is the SMILES notation for [4-[[(4aR,6S,7S,8S,8aR)-6-[[(4aR,6S,7S,8S,8aR)-6-(1-adamantyloxy)-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxymethyl]-2-fluorophenoxy]-tert-butyl-diphenylsilane?

The canonical SMILES for [4-[[(4aR,6S,7S,8S,8aR)-6-[[(4aR,6S,7S,8S,8aR)-6-(1-adamantyloxy)-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxymethyl]-2-fluorophenoxy]-tert-butyl-diphenylsilane is COc1ccc(CO[C@@H]2[C@H](O[C@@H]3[C@H](OCc4ccc(OC)cc4)[C@H](OC45CC6CC(CC(C6)C4)C5)O[C@@H]4COC(c5ccccc5)O[C@@H]34)O[C@@H]3COC(c4ccccc4)O[C@H]3[C@@H]2OCc2ccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c(F)c2)cc1.

What is the InChIKey of [4-[[(4aR,6S,7S,8S,8aR)-6-[[(4aR,6S,7S,8S,8aR)-6-(1-adamantyloxy)-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxymethyl]-2-fluorophenoxy]-tert-butyl-diphenylsilane?

The InChIKey is WGKGYQJPCZXWAU-LIQUAOFDSA-N. The full InChI is InChI=1S/C75H83FO14Si/c1-74(2,3)91(58-22-14-8-15-23-58,59-24-16-9-17-25-59)90-61-35-30-50(39-60(61)76)45-79-66-64-62(46-82-70(86-64)54-18-10-6-11-19-54)84-72(68(66)80-43-48-26-31-56(77-4)32-27-48)88-67-65-63(47-83-71(87-65)55-20-12-7-13-21-55)85-73(69(67)81-44-49-28-33-57(78-5)34-29-49)89-75-40-51-36-52(41-75)38-53(37-51)42-75/h6-35,39,51-53,62-73H,36-38,40-47H2,1-5H3/t51?,52?,53?,62-,63-,64-,65-,66+,67+,68+,69+,70?,71?,72+,73+,75?/m1/s1.

What are the key properties of [4-[[(4aR,6S,7S,8S,8aR)-6-[[(4aR,6S,7S,8S,8aR)-6-(1-adamantyloxy)-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxymethyl]-2-fluorophenoxy]-tert-butyl-diphenylsilane?

[4-[[(4aR,6S,7S,8S,8aR)-6-[[(4aR,6S,7S,8S,8aR)-6-(1-adamantyloxy)-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxymethyl]-2-fluorophenoxy]-tert-butyl-diphenylsilane has a molecular weight of 1255.56 g/mol, XLogP of 12.89, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[(4aR,6S,7S,8S,8aR)-6-[[(4aR,6S,7S,8S,8aR)-6-(1-adamantyloxy)-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-7-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxymethyl]-2-fluorophenoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 102425042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).