methyl 2-[(2S,3R,4S,4aS,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;methyl 2-[(2S,3S,4R,4aR,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate

C52H102O14Si5 — CID 158318975

About methyl 2-[(2S,3R,4S,4aS,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;methyl 2-[(2S,3S,4R,4aR,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate

methyl 2-[(2S,3R,4S,4aS,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;methyl 2-[(2S,3S,4R,4aR,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate (PubChem CID 158318975) has the molecular formula C52H102O14Si5 and a molecular weight of 1091.80 g/mol. Its IUPAC name is methyl 2-[(2S,3R,4S,4aS,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;methyl 2-[(2S,3S,4R,4aR,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate.

Molecular Properties

• Compound Name: methyl 2-[(2S,3R,4S,4aS,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;methyl 2-[(2S,3S,4R,4aR,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate
• PubChem CID: 158318975
• Molecular Formula: C52H102O14Si5
• Molecular Weight: 1091.80 g/mol
• Exact Mass: 1090.61
• IUPAC Name: methyl 2-[(2S,3R,4S,4aS,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;methyl 2-[(2S,3S,4R,4aR,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate
• SMILES: COC(=O)CC1CC[C@@H]2O[C@@H]([C@@H](O)/C=C/[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]2O1.COC(=O)CC1CC[C@@H]2O[C@@H]([C@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1
• InChI: InChI=1S/C35H72O7Si4.C17H30O7Si/c1-33(2,3)44(14,15)40-27(22-23-43(11,12)13)30-32(42-46(18,19)35(7,8)9)31(41-45(16,17)34(4,5)6)29-26(39-30)21-20-25(38-29)24-28(36)37-10;1-22-13(19)9-10-5-6-12-17(23-10)15(21)14(20)16(24-12)11(18)7-8-25(2,3)4/h22-23,25-27,29-32H,20-21,24H2,1-19H3;7-8,10-12,14-18,20-21H,5-6,9H2,1-4H3/b23-22+;8-7+/t25?,26-,27-,29-,30-,31-,32+;10?,11-,12-,14-,15+,16-,17-/m00/s1
• InChIKey: GOPMUFUHNAERPY-LMOIQELCSA-N
• XLogP: 9.85
• TPSA: 177.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1091.80
LogP ≤ 5	9.85
H-Bond Donors ≤ 5	3
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 methyl 2-[(2S,3R,4S,4aS,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;methyl 2-[(2S,3S,4R,4aR,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate?

The IUPAC name of methyl 2-[(2S,3R,4S,4aS,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;methyl 2-[(2S,3S,4R,4aR,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate (CID 158318975) is methyl 2-[(2S,3R,4S,4aS,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;methyl 2-[(2S,3S,4R,4aR,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate.

What is the SMILES notation for methyl 2-[(2S,3R,4S,4aS,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;methyl 2-[(2S,3S,4R,4aR,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate?

The canonical SMILES for methyl 2-[(2S,3R,4S,4aS,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;methyl 2-[(2S,3S,4R,4aR,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate is COC(=O)CC1CC[C@@H]2O[C@@H]([C@@H](O)/C=C/[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]2O1.COC(=O)CC1CC[C@@H]2O[C@@H]([C@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1.

What is the InChIKey of methyl 2-[(2S,3R,4S,4aS,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;methyl 2-[(2S,3S,4R,4aR,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate?

The InChIKey is GOPMUFUHNAERPY-LMOIQELCSA-N. The full InChI is InChI=1S/C35H72O7Si4.C17H30O7Si/c1-33(2,3)44(14,15)40-27(22-23-43(11,12)13)30-32(42-46(18,19)35(7,8)9)31(41-45(16,17)34(4,5)6)29-26(39-30)21-20-25(38-29)24-28(36)37-10;1-22-13(19)9-10-5-6-12-17(23-10)15(21)14(20)16(24-12)11(18)7-8-25(2,3)4/h22-23,25-27,29-32H,20-21,24H2,1-19H3;7-8,10-12,14-18,20-21H,5-6,9H2,1-4H3/b23-22+;8-7+/t25?,26-,27-,29-,30-,31-,32+;10?,11-,12-,14-,15+,16-,17-/m00/s1.

What are the key properties of methyl 2-[(2S,3R,4S,4aS,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;methyl 2-[(2S,3S,4R,4aR,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate?

methyl 2-[(2S,3R,4S,4aS,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;methyl 2-[(2S,3S,4R,4aR,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate has a molecular weight of 1091.80 g/mol, XLogP of 9.85, 16 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[(2S,3R,4S,4aS,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;methyl 2-[(2S,3S,4R,4aR,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate is sourced from PubChem (CID 158318975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).