1. Primary Information
| English name: | [1-[[[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3-(9,10-dihydroxyoctadec-12-enoyloxy)propan-2-yl] docosa-4,7,10,13,16,19-hexaenoate |
| CAS No.: | 102110-74-7 |
| Molecular formula: | C52H83N3O17P2 |
| Molecular weight: | 1084.2 g/mol |
| SMILES: | CCCCCC=CCC(C(CCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)O)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1g | protease substrate | 360 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[1-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3-(9,10-dihydroxyoctadec-12-enoyloxy)propan-2-yl] docosa-4,7,10,13,16,19-hexaenoate
4.2 InChI
InChI=1S/C52H83N3O17P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-27-32-36-48(59)70-42(39-67-47(58)35-31-28-24-26-30-34-44(57)43(56)33-29-25-10-8-6-4-2)40-68-73(63,64)72-74(65,66)69-41-45-49(60)50(61)51(71-45)55-38-37-46(53)54-52(55)62/h5,7,11-12,14-15,17-18,20-21,23,25,27,29,37-38,42-45,49-51,56-57,60-61H,3-4,6,8-10,13,16,19,22,24,26,28,30-36,39-41H2,1-2H3,(H,63,64)(H,65,66)(H2,53,54,62)
4.3 InChIKey
CRGPUYQAVVAFIK-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCCCC=CCC(C(CCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)O)O
4.5 Isomeric SMILES
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