JMC
Summary
| Name: | [(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-3-methyl-2-oxidanylidene-4~{H}-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
| Formula: | C11 H20 N3 O8 P |
| Formal charge: | 0 |
| Formula weight: | 353.266 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-3-methyl-2-oxidanylidene-4~{H}-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H20N3O8P/c1-13-7(12)3-4-14(11(13)16)10-9(20-2)8(15)6(22-10)5-21-23(17,18)19/h3-4,6-10,15H,5,12H2,1-2H3,(H2,17,18,19)/t6-,7-,8-,9-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | BKSKIJTVQSZCSV-VVULQXIFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1N2C=C[C@H](N)N(C)C2=O |
| SMILES | CACTVS | 3.385 | CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C[CH](N)N(C)C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C(C=CN(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)OC)N |
