Showing Metabocard for 7-carboxy-7-deazaguanine (BASm0004049)
| Common Name | 7-carboxy-7-deazaguanine |
|---|---|
| Description | 7-deaza-7-carboxyguanine is a member of the chemical class known as Pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine. |
| Structure | |
| Molecular Formula | C7H6N4O3 |
| Average Mass | 194.14750 |
| Monoisotopic Mass | 194.04399 |
| IUPAC Name | 4-hydroxy-2-imino-1H,2H,7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid |
| Traditional Name | 4-hydroxy-2-imino-1h,7h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid |
| CAS Registry Number | Not Available |
| SMILES | Nc1nc2[nH]cc(C(=O)[O-])c2c(=O)[nH]1 |
| InChI Identifier | InChI=1S/C7H6N4O3/c8-7-10-4-3(5(12)11-7)2(1-9-4)6(13)14/h1H,(H,13,14)(H4,8,9,10,11,12) |
| InChI Key | XIUIRSLBMMTDSK-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:61036 |
| State | Not Available |
| Water Solubility | 7.61e-01 g/l |
| logP | -0.69 |
| logS | -2.41 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | 6 |
| Hydrogen Donor Count | 5 |
| Polar Surface Area | 121.56 Ų |
| Rotatable Bond Count | 1 |
| Physiological Charge | Not Available |
| Formal Charge | 0 |
| Refractivity | 58.04 m³·mol⁻¹ |
| Polarizability | 17.07 |