CAS Number947692-13-9
SynonymsExact Mass 557.125000; LogP 2.17; Index of Refraction 1.671; InChIKey LTINZAODLRIQIX-ZFEISNGRSA-N; Bioassay; View more; Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...; External Id: ULK1_INH_LUMI_1536_1X%INH PRUN; Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress; Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School; Target: HCMV UL50; External Id: HMS1262; Name: uHTS identification of small molecule modulators of Rev-erb Alpha.; External Id: SBCCG-A1016-RevErbaLBD-Primary-Assay; Name: Chemical Probes of Kaposi's Sarcoma Herpes Virus Latent Infection; Target: ORF 73 [Human herpesvirus 8 type M]; External Id: HMS791; Source: 23209; External Id: UIHTS20180925; External Id: HMS979; Source: NCGC; E
Molecular FormulaC21H27N5O9S2
Molecular Weight557.597
Density1.6±0.1 g/cm3
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 947692-13-9 |
| Catalog No. | 2A-3180698 |
| Chinese Name | 头孢泊肟酯杂质D |
| Synonyms | Exact Mass 557.125000; LogP 2.17; Index of Refraction 1.671; InChIKey LTINZAODLRIQIX-ZFEISNGRSA-N; Bioassay; View more; Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...; External Id: ULK1_INH_LUMI_1536_1X%INH PRUN; Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress; Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School; Target: HCMV UL50; External Id: HMS1262; Name: uHTS identification of small molecule modulators of Rev-erb Alpha.; External Id: SBCCG-A1016-RevErbaLBD-Primary-Assay; Name: Chemical Probes of Kaposi's Sarcoma Herpes Virus Latent Infection; Target: ORF 73 [Human herpesvirus 8 type M]; External Id: HMS791; Source: 23209; External Id: UIHTS20180925; External Id: HMS979; Source: NCGC; E |
| Molecular Formula | C21H27N5O9S2 |
| Molecular Weight | 557.597 |
| Density | 1.6±0.1 g/cm3 |
| PubChem ID | 14886236 |
| SMILES | COCC1=C(C(=O)OC(C)OC(=O)OC(C)C)N2C(=O)C(NC(=O)C(=NOC)c3csc(N)n3)C2SC1 |
| InChI | InChI=1S/C21H27N5O9S2/c1-9(2)33-21(30)35-10(3)34-19(29)15-11(6-31-4)7-36-18-14(17(28)26(15)18)24-16(27)13(25-32-5)12-8-37-20(22)23-12/h8-10,14,18H,6-7H2,1-5H3,(H2,22,23)(H,24,27)/b25-13+/t10?,14-,18-/m1/s1 |
| InChI Key | LTINZAODLRIQIX-ZFEISNGRSA-N |
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