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| Catalog Number | ONT129821767 |
| CAS | 129821-76-7 |
| Structure |  |
| Synonyms | Dspacer cep |
| IUPAC Name | 3-[[(2R,3S)-2-[[Bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile |
| Molecular Weight | 620.72 |
| Molecular Formula | C35H45N2O6P |
| Canonical SMILES | CC(C)N(C(C)C)P(OCCC#N)OC1CCOC1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC |
| InChI | InChI=1S/C35H45N2O6P/c1-26(2)37(27(3)4)44(42-23-10-22-36)43-33-21-24-40-34(33)25-41-35(28-11-8-7-9-12-28,29-13-17-31(38-5)18-14-29)30-15-19-32(39-6)20-16-30/h7-9,11-20,26-27,33-34H,10,21,23-25H2,1-6H3/t33-,34+,44?/m0/s1 |
| InChI Key | XZGSDLJMHWJDHL-JUWSMZLESA-N |
| Purity | 98%+ |
| Storage | Below -20 ℃ |
| Complexity | 829 |
| Exact Mass | 620.30152416 |
| Heavy Atom Count | 44 |
| Isomeric SMILES | CC(C)N(C(C)C)P(OCCC#N)O[C@H]1CCO[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC |
| Monoisotopic Mass | 620.30152416 |
| Topological Polar Surface Area | 82.4Ų |
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