1. Primary Information
| English name: | CID 156593841 |
| CAS No.: | 1236288-25-7 |
| Molecular formula: | C65H111N10O16P |
| Molecular weight: | 1319.6 g/mol |
| SMILES: | CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)OCCOCCNC(=O)CCC(C(=O)O)NC(=O)C1=CC=C(C=C1)NCC2=NC3C(=O)NC(=N)N=C3N=C2)OC(=O)CCCCCCCCCCCCCCCCC.N |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | 分子量 2000 | 2000 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
azane;5-[2-[2-[2-[2,3-di(octadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylcarbamoyloxy]ethoxy]ethylamino]-2-[[4-[(2-imino-4-oxo-4aH-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid
4.2 InChI
InChI=1S/C65H108N9O16P.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-57(76)87-49-54(90-58(77)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)50-89-91(83,84)88-44-42-68-65(82)86-46-45-85-43-41-67-56(75)40-39-55(63(80)81)72-61(78)51-35-37-52(38-36-51)69-47-53-48-70-60-59(71-53)62(79)74-64(66)73-60;/h35-38,48,54-55,59,69H,3-34,39-47,49-50H2,1-2H3,(H,67,75)(H,68,82)(H,72,78)(H,80,81)(H,83,84)(H2,66,74,79);1H3
4.3 InChIKey
WXIKCKLNMQSVPC-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)OCCOCCNC(=O)CCC(C(=O)O)NC(=O)C1=CC=C(C=C1)NCC2=NC3C(=O)NC(=N)N=C3N=C2)OC(=O)CCCCCCCCCCCCCCCCC.N
4.5 Isomeric SMILES
-
