PPC
Summary
| Name: | 1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose |
| Synonyms: | 5-PHOSPHORIBOSYL-1-(BETA-METHYLENE) PYROPHOSPHATE 1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribose; 1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-D-ribose; 1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-ribose |
| Formula: | C6 H15 O13 P3 |
| Formal charge: | 0 |
| Formula weight: | 388.097 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose |
| OpenEye OEToolkits | 1.5.0 | [[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]oxy-hydroxy-phosphoryl]methylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(OC1OC(C(O)C1O)COP(=O)(O)O)(O)CP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO[P](O)(O)=O)O[P@@](O)(=O)C[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P](O)(=O)C[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(CP(=O)(O)O)O)O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(O1)OP(=O)(CP(=O)(O)O)O)O)O)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H15O13P3/c7-4-3(1-17-22(14,15)16)18-6(5(4)8)19-21(12,13)2-20(9,10)11/h3-8H,1-2H2,(H,12,13)(H2,9,10,11)(H2,14,15,16)/t3-,4-,5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | JFMKBQDEISBIPL-KVTDHHQDSA-N |
