[(2R,3S,4S,5R,6R)-2-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3-iodo-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane

C40H53IO9Si — CID 102369705

About [(2R,3S,4S,5R,6R)-2-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3-iodo-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane

[(2R,3S,4S,5R,6R)-2-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3-iodo-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 102369705) has the molecular formula C40H53IO9Si and a molecular weight of 832.84 g/mol. Its IUPAC name is [(2R,3S,4S,5R,6R)-2-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3-iodo-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(2R,3S,4S,5R,6R)-2-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3-iodo-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 102369705
• Molecular Formula: C40H53IO9Si
• Molecular Weight: 832.84 g/mol
• Exact Mass: 832.25
• IUPAC Name: [(2R,3S,4S,5R,6R)-2-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3-iodo-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane
• SMILES: CO[C@H]1O[C@@H]2COC(c3ccccc3)O[C@H]2[C@H](O[C@H]2O[C@H](C)[C@@H](OCc3ccccc3)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2I)[C@H]1OCc1ccccc1
• InChI: InChI=1S/C40H53IO9Si/c1-26-32(43-23-27-17-11-8-12-18-27)34(50-51(6,7)40(2,3)4)31(41)38(46-26)49-35-33-30(25-45-37(48-33)29-21-15-10-16-22-29)47-39(42-5)36(35)44-24-28-19-13-9-14-20-28/h8-22,26,30-39H,23-25H2,1-7H3/t26-,30-,31+,32-,33-,34-,35+,36-,37?,38-,39+/m1/s1
• InChIKey: OAKSUGAWXKQUFQ-IPTZTJGYSA-N
• XLogP: 7.97
• TPSA: 83.07 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.84
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R,6R)-2-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3-iodo-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(2R,3S,4S,5R,6R)-2-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3-iodo-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane (CID 102369705) is [(2R,3S,4S,5R,6R)-2-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3-iodo-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(2R,3S,4S,5R,6R)-2-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3-iodo-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(2R,3S,4S,5R,6R)-2-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3-iodo-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane is CO[C@H]1O[C@@H]2COC(c3ccccc3)O[C@H]2[C@H](O[C@H]2O[C@H](C)[C@@H](OCc3ccccc3)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2I)[C@H]1OCc1ccccc1.

What is the InChIKey of [(2R,3S,4S,5R,6R)-2-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3-iodo-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is OAKSUGAWXKQUFQ-IPTZTJGYSA-N. The full InChI is InChI=1S/C40H53IO9Si/c1-26-32(43-23-27-17-11-8-12-18-27)34(50-51(6,7)40(2,3)4)31(41)38(46-26)49-35-33-30(25-45-37(48-33)29-21-15-10-16-22-29)47-39(42-5)36(35)44-24-28-19-13-9-14-20-28/h8-22,26,30-39H,23-25H2,1-7H3/t26-,30-,31+,32-,33-,34-,35+,36-,37?,38-,39+/m1/s1.

What are the key properties of [(2R,3S,4S,5R,6R)-2-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3-iodo-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane?

[(2R,3S,4S,5R,6R)-2-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3-iodo-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 832.84 g/mol, XLogP of 7.97, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4S,5R,6R)-2-[[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3-iodo-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102369705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).