(4R,5S,6R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5,7,7a-tetrahydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;(4R,5S,6S,8S,9S)-6-[tert-butyl(dimethyl)silyl]oxy-8,9-dihydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]nonane-2,7-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate

C71H97N2O16PSi4 — CID 159414086

About (4R,5S,6R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5,7,7a-tetrahydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;(4R,5S,6S,8S,9S)-6-[tert-butyl(dimethyl)silyl]oxy-8,9-dihydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]nonane-2,7-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate

(4R,5S,6R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5,7,7a-tetrahydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;(4R,5S,6S,8S,9S)-6-[tert-butyl(dimethyl)silyl]oxy-8,9-dihydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]nonane-2,7-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate (PubChem CID 159414086) has the molecular formula C71H97N2O16PSi4 and a molecular weight of 1377.87 g/mol. Its IUPAC name is (4R,5S,6R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5,7,7a-tetrahydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;(4R,5S,6S,8S,9S)-6-[tert-butyl(dimethyl)silyl]oxy-8,9-dihydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]nonane-2,7-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate.

Molecular Properties

• Compound Name: (4R,5S,6R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5,7,7a-tetrahydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;(4R,5S,6S,8S,9S)-6-[tert-butyl(dimethyl)silyl]oxy-8,9-dihydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]nonane-2,7-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate
• PubChem CID: 159414086
• Molecular Formula: C71H97N2O16PSi4
• Molecular Weight: 1377.87 g/mol
• Exact Mass: 1376.57
• IUPAC Name: (4R,5S,6R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5,7,7a-tetrahydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;(4R,5S,6S,8S,9S)-6-[tert-butyl(dimethyl)silyl]oxy-8,9-dihydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]nonane-2,7-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate
• SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C(=O)[C@@H](O)[C@@H](O)[C@]2(CC(=O)N2OCc2ccccc2)[C@@H]1O[Si](C)(C)C.CC(C)(C)[Si](C)(C)O[C@@H]1C2=CC(=O)O[C@H]2[C@@H](O)[C@]2(CC(=O)N2OCc2ccccc2)[C@@H]1O[Si](C)(C)C.COC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H39NO7Si2.C24H39NO7Si2.C21H19O2P/c1-25(2,3)36(7,8)33-22-18-14-20(29)32-21(18)23(30)26(24(22)34-35(4,5)6)15-19(28)27(26)31-16-17-12-10-9-11-13-17;1-23(2,3)34(7,8)31-20-18(27)19(28)21(29)24(22(20)32-33(4,5)6)14-17(26)25(24)30-15-16-12-10-9-11-13-16;1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h9-14,21-24,30H,15-16H2,1-8H3;9-13,19-22,28-29H,14-15H2,1-8H3;2-17H,1H3/t21-,22-,23-,24-,26-;19-,20-,21-,22-,24-;/m11./s1
• InChIKey: LOYBYLNYBMKHJC-MICZWKQFSA-N
• XLogP: 9.89
• TPSA: 226.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1377.87
LogP ≤ 5	9.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5,7,7a-tetrahydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;(4R,5S,6S,8S,9S)-6-[tert-butyl(dimethyl)silyl]oxy-8,9-dihydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]nonane-2,7-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate?

The IUPAC name of (4R,5S,6R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5,7,7a-tetrahydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;(4R,5S,6S,8S,9S)-6-[tert-butyl(dimethyl)silyl]oxy-8,9-dihydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]nonane-2,7-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate (CID 159414086) is (4R,5S,6R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5,7,7a-tetrahydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;(4R,5S,6S,8S,9S)-6-[tert-butyl(dimethyl)silyl]oxy-8,9-dihydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]nonane-2,7-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate.

What is the SMILES notation for (4R,5S,6R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5,7,7a-tetrahydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;(4R,5S,6S,8S,9S)-6-[tert-butyl(dimethyl)silyl]oxy-8,9-dihydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]nonane-2,7-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate?

The canonical SMILES for (4R,5S,6R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5,7,7a-tetrahydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;(4R,5S,6S,8S,9S)-6-[tert-butyl(dimethyl)silyl]oxy-8,9-dihydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]nonane-2,7-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate is CC(C)(C)[Si](C)(C)O[C@@H]1C(=O)[C@@H](O)[C@@H](O)[C@]2(CC(=O)N2OCc2ccccc2)[C@@H]1O[Si](C)(C)C.CC(C)(C)[Si](C)(C)O[C@@H]1C2=CC(=O)O[C@H]2[C@@H](O)[C@]2(CC(=O)N2OCc2ccccc2)[C@@H]1O[Si](C)(C)C.COC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1.

What is the InChIKey of (4R,5S,6R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5,7,7a-tetrahydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;(4R,5S,6S,8S,9S)-6-[tert-butyl(dimethyl)silyl]oxy-8,9-dihydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]nonane-2,7-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate?

The InChIKey is LOYBYLNYBMKHJC-MICZWKQFSA-N. The full InChI is InChI=1S/C26H39NO7Si2.C24H39NO7Si2.C21H19O2P/c1-25(2,3)36(7,8)33-22-18-14-20(29)32-21(18)23(30)26(24(22)34-35(4,5)6)15-19(28)27(26)31-16-17-12-10-9-11-13-17;1-23(2,3)34(7,8)31-20-18(27)19(28)21(29)24(22(20)32-33(4,5)6)14-17(26)25(24)30-15-16-12-10-9-11-13-16;1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h9-14,21-24,30H,15-16H2,1-8H3;9-13,19-22,28-29H,14-15H2,1-8H3;2-17H,1H3/t21-,22-,23-,24-,26-;19-,20-,21-,22-,24-;/m11./s1.

What are the key properties of (4R,5S,6R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5,7,7a-tetrahydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;(4R,5S,6S,8S,9S)-6-[tert-butyl(dimethyl)silyl]oxy-8,9-dihydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]nonane-2,7-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate?

(4R,5S,6R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5,7,7a-tetrahydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;(4R,5S,6S,8S,9S)-6-[tert-butyl(dimethyl)silyl]oxy-8,9-dihydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]nonane-2,7-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate has a molecular weight of 1377.87 g/mol, XLogP of 9.89, 18 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S,6R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5,7,7a-tetrahydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;(4R,5S,6S,8S,9S)-6-[tert-butyl(dimethyl)silyl]oxy-8,9-dihydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]nonane-2,7-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate is sourced from PubChem (CID 159414086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).