(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;(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5-dihydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate

C71H95N2O15PSi4 — CID 158290571

IUPAC(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;(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5-dihydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate
SMILESCC(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)OC2=C[C@]2(CC(=O)N2OCc2ccccc2)[C@@H]1O[Si](C)(C)C.COC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H37NO6Si2.C24H39NO7Si2.C21H19O2P/c1-25(2,3)35(7,8)32-23-19-14-22(29)31-20(19)15-26(24(23)33-34(4,5)6)16-21(28)27(26)30-17-18-12-10-9-11-13-18;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/h9-15,23-24H,16-17H2,1-8H3;9-13,19-22,28-29H,14-15H2,1-8H3;2-17H,1H3/t23-,24-,26+;19-,20-,21-,22-,24-;/m11./s1
InChIKeyGLHLKHZEKNHSJW-JDOKUHGTSA-N
MW1359.86 g/mol
LogP11.04
Rot. Bonds18

About (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;(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5-dihydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate

(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;(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5-dihydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate (PubChem CID 158290571) has the molecular formula C71H95N2O15PSi4 and a molecular weight of 1359.86 g/mol. Its IUPAC name is (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;(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5-dihydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate.

Molecular Properties

Compound Name(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;(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5-dihydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate
PubChem CID158290571
Molecular FormulaC71H95N2O15PSi4
Molecular Weight1359.86 g/mol
Exact Mass1358.55
IUPAC Name(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;(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5-dihydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate
SMILESCC(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)OC2=C[C@]2(CC(=O)N2OCc2ccccc2)[C@@H]1O[Si](C)(C)C.COC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H37NO6Si2.C24H39NO7Si2.C21H19O2P/c1-25(2,3)35(7,8)32-23-19-14-22(29)31-20(19)15-26(24(23)33-34(4,5)6)16-21(28)27(26)30-17-18-12-10-9-11-13-18;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/h9-15,23-24H,16-17H2,1-8H3;9-13,19-22,28-29H,14-15H2,1-8H3;2-17H,1H3/t23-,24-,26+;19-,20-,21-,22-,24-;/m11./s1
InChIKeyGLHLKHZEKNHSJW-JDOKUHGTSA-N
XLogP11.04
TPSA206.13 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001359.86
LogP ≤ 511.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze (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;(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5-dihydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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;(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5-dihydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate?
The IUPAC name of (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;(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5-dihydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate (CID 158290571) is (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;(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5-dihydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate.
What is the SMILES notation for (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;(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5-dihydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate?
The canonical SMILES for (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;(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5-dihydro-1-benzofuran-6,4'-azetidine]-2,2'-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)OC2=C[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,6S,8S,9S)-6-[tert-butyl(dimethyl)silyl]oxy-8,9-dihydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]nonane-2,7-dione;(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5-dihydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate?
The InChIKey is GLHLKHZEKNHSJW-JDOKUHGTSA-N. The full InChI is InChI=1S/C26H37NO6Si2.C24H39NO7Si2.C21H19O2P/c1-25(2,3)35(7,8)32-23-19-14-22(29)31-20(19)15-26(24(23)33-34(4,5)6)16-21(28)27(26)30-17-18-12-10-9-11-13-18;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/h9-15,23-24H,16-17H2,1-8H3;9-13,19-22,28-29H,14-15H2,1-8H3;2-17H,1H3/t23-,24-,26+;19-,20-,21-,22-,24-;/m11./s1.
What are the key properties of (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;(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5-dihydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate?
(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;(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5-dihydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate has a molecular weight of 1359.86 g/mol, XLogP of 11.04, 18 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (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;(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-1'-phenylmethoxy-5-trimethylsilyloxyspiro[4,5-dihydro-1-benzofuran-6,4'-azetidine]-2,2'-dione;methyl 2-(triphenyl-λ5-phosphanylidene)acetate is sourced from PubChem (CID 158290571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).