6CS
Summary
| Name: | (4S,5S)-5-HYDROXY-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID |
| Formula: | C6 H10 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 158.155 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4S,5S)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | (4S,5S)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1N=C(NCC1O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=N[C@@H]([C@@H](O)CN1)C(O)=O |
| SMILES | CACTVS | 3.341 | CC1=N[CH]([CH](O)CN1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=N[C@@H]([C@H](CN1)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=NC(C(CN1)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H10N2O3/c1-3-7-2-4(9)5(8-3)6(10)11/h4-5,9H,2H2,1H3,(H,7,8)(H,10,11)/t4-,5-/m0/s1 |
| InChIKey | InChI | 1.03 | KIIBBJKLKFTNQO-WHFBIAKZSA-N |
