HUV
Summary
| Name: | methyl 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-D-erythro-pentofuranosyl}-1H-indole-5-carboxylate |
| Formula: | C15 H20 N O14 P3 |
| Formal charge: | 0 |
| Formula weight: | 531.239 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-D-erythro-pentofuranosyl}-1H-indole-5-carboxylate |
| OpenEye OEToolkits | 2.0.6 | methyl 1-[(2~{S},4~{S},5~{R})-4-oxidanyl-5-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-2-yl]indole-5-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c3ccc1c(ccn1C2CC(C(O2)COP(=O)(O)OP(O)(=O)OP(O)(=O)O)O)c3)OC |
| InChI | InChI | 1.03 | InChI=1S/C15H20NO14P3/c1-26-15(18)10-2-3-11-9(6-10)4-5-16(11)14-7-12(17)13(28-14)8-27-32(22,23)30-33(24,25)29-31(19,20)21/h2-6,12-14,17H,7-8H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21)/t12-,13+,14-/m0/s1 |
| InChIKey | InChI | 1.03 | QKUDYNPYMMJGEH-MJBXVCDLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccc2n(ccc2c1)[C@@H]3C[C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3 |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccc2n(ccc2c1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COC(=O)c1ccc2c(c1)ccn2[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)c1ccc2c(c1)ccn2C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
