HJL
Summary
| Name: | [(2~{R},3~{S},4~{S})-5-[[2,5-bis(azanyl)-6-oxidanylidene-1~{H}-pyrimidin-4-yl]amino]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate |
| Formula: | C9 H18 N5 O8 P |
| Formal charge: | 0 |
| Formula weight: | 355.242 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{S},4~{S})-5-[[2,5-bis(azanyl)-4-oxidanylidene-1~{H}-pyrimidin-6-yl]amino]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H18N5O8P/c10-5-7(13-9(11)14-8(5)18)12-1-3(15)6(17)4(16)2-22-23(19,20)21/h3-4,6,15-17H,1-2,10H2,(H2,19,20,21)(H4,11,12,13,14,18)/t3-,4+,6-/m0/s1 |
| InChIKey | InChI | 1.03 | ACIVVGBVOVHFPQ-RPDRRWSUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=NC(=O)C(=C(NC[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)N1)N |
| SMILES | CACTVS | 3.385 | NC1=NC(=O)C(=C(NC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)N1)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC1=C(C(=O)N=C(N1)N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C(C(C(COP(=O)(O)O)O)O)O)NC1=C(C(=O)N=C(N1)N)N |
