1. Primary Information
| English name: | 5'-o-(4,4-Dimethoxytrityl)-N-[[4-(tert-butyl)phenoxy]acetyl]-2'-o-methylcytidine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite |
| CAS No.: | 179486-26-1 |
| Molecular formula: | C52H64N5O10P |
| Molecular weight: | 950.1 g/mol |
| SMILES: | CC(C)N(C(C)C)P(OCCC#N)OC1C(OC(C1OC)N2C=CC(=NC2=O)NC(=O)COC3=CC=C(C=C3)C(C)(C)C)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | 98% | 80 | 2-8℃ | in stock | - |
| Kehua Intelligence | 250mg | 98% | 156 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | 98% | 552 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-methoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-(4-tert-butylphenoxy)acetamide
4.2 InChI
InChI=1S/C52H64N5O10P/c1-35(2)57(36(3)4)68(65-32-14-30-53)67-47-44(33-64-52(38-15-12-11-13-16-38,39-19-23-41(60-8)24-20-39)40-21-25-42(61-9)26-22-40)66-49(48(47)62-10)56-31-29-45(55-50(56)59)54-46(58)34-63-43-27-17-37(18-28-43)51(5,6)7/h11-13,15-29,31,35-36,44,47-49H,14,32-34H2,1-10H3,(H,54,55,58,59)/t44-,47-,48-,49-,68?/m1/s1
4.3 InChIKey
JRJMGDLRRSEUHM-MVHRPHEDSA-N
4.4 Canonical SMILES
CC(C)N(C(C)C)P(OCCC#N)OC1C(OC(C1OC)N2C=CC(=NC2=O)NC(=O)COC3=CC=C(C=C3)C(C)(C)C)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC
4.5 Isomeric SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=CC(=NC2=O)NC(=O)COC3=CC=C(C=C3)C(C)(C)C)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC
