1. Primary Information
| English name: | Ac-dC Phosphoramidite |
| CAS No.: | 154110-40-4 |
| Molecular formula: | C41H50N5O8P |
| Molecular weight: | 771.8 g/mol |
| SMILES: | CC(C)N(C(C)C)P(OCCC#N)OC1CC(OC1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=CC(=NC5=O)NC(=O)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1g | BR,97% | 600 | -20℃ | in stock | - |
| Kehua Intelligence | 5g | BR,97% | 1744 | -20℃ | in stock | - |
| Kehua Intelligence | 25g | BR,97% | 7072 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
N-[1-[(2S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
4.2 InChI
InChI=1S/C41H50N5O8P/c1-28(2)46(29(3)4)55(52-25-11-23-42)54-36-26-39(45-24-22-38(43-30(5)47)44-40(45)48)53-37(36)27-51-41(31-12-9-8-10-13-31,32-14-18-34(49-6)19-15-32)33-16-20-35(50-7)21-17-33/h8-10,12-22,24,28-29,36-37,39H,11,25-27H2,1-7H3,(H,43,44,47,48)/t36-,37+,39+,55?/m1/s1
4.3 InChIKey
MECWEBCHRKVTNV-QQIWIMIASA-N
4.4 Canonical SMILES
CC(C)N(C(C)C)P(OCCC#N)OC1CC(OC1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=CC(=NC5=O)NC(=O)C
4.5 Isomeric SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1C[C@H](O[C@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=CC(=NC5=O)NC(=O)C
