tert-butyl (2S)-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-5-oxo-2H-pyrrole-1-carboxylate
Update Time: 2025-04-25 16:33:36
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Common Name | tert-butyl (2S)-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-5-oxo-2H-pyrrole-1-carboxylate | English Name | tert-butyl (2S)-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-5-oxo-2H-pyrrole-1-carboxylate |
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CAS NO. | N/A | Molecular Weight | 515.7 | |
Density | N/A | Boiling Point | N/A | |
Molecular Formula | C24H41NO9Si | Melting Point | N/A | |
MSDS | N/A | Flash Point | N/A | |
Symbol | N/A | Signal Word | N/A |
English Name | tert-butyl (2S)-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-5-oxo-2H-pyrrole-1-carboxylate |
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Molecular Formula | C24H41NO9Si |
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Molecular Weight | 515.7 |
Exact Mass | 515.25505842 |
LogP | 0.00 |
Standard SMILES | CC(C)(C)OC(=O)N1C(=O)C(C(O)C2COC(C)(C)O2)=CC1C(O[Si](C)(C)C)C1COC(C)(C)O1 |
Canonical SMILES | CC1(OCC(O1)C(C2C=C(C(=O)N2C(=O)OC(C)(C)C)C(C3COC(O3)(C)C)O)O[Si](C)(C)C)C |
Isomeric SMILES | CC1(OC[C@H](O1)[C@@H]([C@@H]2C=C(C(=O)N2C(=O)OC(C)(C)C)[C@H]([C@H]3COC(O3)(C)C)O)O[Si](C)(C)C)C |
Standard InChI Identifier | InChI=1S/C24H41NO9Si/c1-22(2,3)33-21(28)25-15(19(34-35(8,9)10)17-13-30-24(6,7)32-17)11-14(20(25)27)18(26)16-12-29-23(4,5)31-16/h11,15-19,26H,12-13H2,1-10H3/t15-,16+,17-,18+,19+/m0/s1 |
Standard InChI Key | CDJHIVXZCJONSM-ZWJWXYIHSA-N |
Compound Complexity | 858.00 |
computational chemistry | Hydrogen Bond Acceptor Count:9 Hydrogen Bond Donor Count:1 Rotatable Bond Count:8 Heavy Atom Count:35 Total Chiral Atom Count:5 Defined Chiral Atom Count:5 Undefined Chiral Atom Count:0 Total Chiral Bond Count:0 Defined Chiral Bond Count:0 Undefined Chiral Bond Count:0 Isotope Atom Count:0 Covalent Unit Count:1 Tautomer Count:-1 Monoisotopic Mass:515.25505842 |