YCE
Summary
| Name: | [(2R)-2-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl]phosphonic acid |
| Formula: | C10 H15 N4 O5 P |
| Formal charge: | 0 |
| Formula weight: | 302.224 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2R)-2-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl]phosphonic acid |
| OpenEye OEToolkits | 2.0.7 | [(2~{R})-2-oxidanyl-3-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)methylamino]propyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)CC(O)CNCc1c[NH]c2c1N=CNC2=O |
| InChI | InChI | 1.06 | InChI=1S/C10H15N4O5P/c15-7(4-20(17,18)19)3-11-1-6-2-12-9-8(6)13-5-14-10(9)16/h2,5,7,11-12,15H,1,3-4H2,(H,13,14,16)(H2,17,18,19)/t7-/m1/s1 |
| InChIKey | InChI | 1.06 | GLYTVTTVHOOYFN-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H](CNCc1c[nH]c2C(=O)NC=Nc12)C[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | O[CH](CNCc1c[nH]c2C(=O)NC=Nc12)C[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(c2c([nH]1)C(=O)NC=N2)CNC[C@H](CP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c2c([nH]1)C(=O)NC=N2)CNCC(CP(=O)(O)O)O |
