(2R,4aR,6S,7S,8R,8aR)-6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-8-[[4-[tert-butyl(diphenyl)silyl]oxy-3-fluorophenyl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol

C48H57FO12Si — CID 25266828

About (2R,4aR,6S,7S,8R,8aR)-6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-8-[[4-[tert-butyl(diphenyl)silyl]oxy-3-fluorophenyl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol

(2R,4aR,6S,7S,8R,8aR)-6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-8-[[4-[tert-butyl(diphenyl)silyl]oxy-3-fluorophenyl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol (PubChem CID 25266828) has the molecular formula C48H57FO12Si and a molecular weight of 873.06 g/mol. Its IUPAC name is (2R,4aR,6S,7S,8R,8aR)-6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-8-[[4-[tert-butyl(diphenyl)silyl]oxy-3-fluorophenyl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol.

Molecular Properties

• Compound Name: (2R,4aR,6S,7S,8R,8aR)-6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-8-[[4-[tert-butyl(diphenyl)silyl]oxy-3-fluorophenyl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
• PubChem CID: 25266828
• Molecular Formula: C48H57FO12Si
• Molecular Weight: 873.06 g/mol
• Exact Mass: 872.36
• IUPAC Name: (2R,4aR,6S,7S,8R,8aR)-6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-8-[[4-[tert-butyl(diphenyl)silyl]oxy-3-fluorophenyl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
• SMILES: CC1(C)O[C@H]2O[C@H]([C@H]3COC(C)(C)O3)[C@H](O[C@@H]3O[C@@H]4CO[C@@H](c5ccccc5)O[C@H]4[C@H](OCc4ccc(O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)c(F)c4)[C@@H]3O)[C@H]2O1
• InChI: InChI=1S/C48H57FO12Si/c1-46(2,3)62(31-19-13-9-14-20-31,32-21-15-10-16-22-32)61-34-24-23-29(25-33(34)49)26-51-40-37(50)44(54-35-27-52-43(55-38(35)40)30-17-11-8-12-18-30)57-41-39(36-28-53-47(4,5)58-36)56-45-42(41)59-48(6,7)60-45/h8-25,35-45,50H,26-28H2,1-7H3/t35-,36-,37+,38-,39-,40-,41+,42-,43-,44+,45-/m1/s1
• InChIKey: AYOOKCQTSFGNJJ-STMHTDRQSA-N
• XLogP: 6.26
• TPSA: 121.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	873.06
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,6S,7S,8R,8aR)-6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-8-[[4-[tert-butyl(diphenyl)silyl]oxy-3-fluorophenyl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol?

The IUPAC name of (2R,4aR,6S,7S,8R,8aR)-6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-8-[[4-[tert-butyl(diphenyl)silyl]oxy-3-fluorophenyl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol (CID 25266828) is (2R,4aR,6S,7S,8R,8aR)-6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-8-[[4-[tert-butyl(diphenyl)silyl]oxy-3-fluorophenyl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol.

What is the SMILES notation for (2R,4aR,6S,7S,8R,8aR)-6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-8-[[4-[tert-butyl(diphenyl)silyl]oxy-3-fluorophenyl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol?

The canonical SMILES for (2R,4aR,6S,7S,8R,8aR)-6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-8-[[4-[tert-butyl(diphenyl)silyl]oxy-3-fluorophenyl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol is CC1(C)O[C@H]2O[C@H]([C@H]3COC(C)(C)O3)[C@H](O[C@@H]3O[C@@H]4CO[C@@H](c5ccccc5)O[C@H]4[C@H](OCc4ccc(O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)c(F)c4)[C@@H]3O)[C@H]2O1.

What is the InChIKey of (2R,4aR,6S,7S,8R,8aR)-6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-8-[[4-[tert-butyl(diphenyl)silyl]oxy-3-fluorophenyl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol?

The InChIKey is AYOOKCQTSFGNJJ-STMHTDRQSA-N. The full InChI is InChI=1S/C48H57FO12Si/c1-46(2,3)62(31-19-13-9-14-20-31,32-21-15-10-16-22-32)61-34-24-23-29(25-33(34)49)26-51-40-37(50)44(54-35-27-52-43(55-38(35)40)30-17-11-8-12-18-30)57-41-39(36-28-53-47(4,5)58-36)56-45-42(41)59-48(6,7)60-45/h8-25,35-45,50H,26-28H2,1-7H3/t35-,36-,37+,38-,39-,40-,41+,42-,43-,44+,45-/m1/s1.

What are the key properties of (2R,4aR,6S,7S,8R,8aR)-6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-8-[[4-[tert-butyl(diphenyl)silyl]oxy-3-fluorophenyl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol?

(2R,4aR,6S,7S,8R,8aR)-6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-8-[[4-[tert-butyl(diphenyl)silyl]oxy-3-fluorophenyl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol has a molecular weight of 873.06 g/mol, XLogP of 6.26, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4aR,6S,7S,8R,8aR)-6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-8-[[4-[tert-butyl(diphenyl)silyl]oxy-3-fluorophenyl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol is sourced from PubChem (CID 25266828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).