Showing Metabocard for 7,8-dihydrofolate (BASm0002710)
| Common Name | 7,8-dihydrofolate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C19H19N7O6 |
| Average Mass | 441.40500 |
| Monoisotopic Mass | 441.14078 |
| IUPAC Name | (2S)-2-[(4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid |
| Traditional Name | Dihydrofolic acid |
| CAS Registry Number | Not Available |
| SMILES | Nc1nc2c(c(=O)[nH]1)N=C(CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2 |
| InChI Identifier | InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/p-2/t12-/m0/s1 |
| InChI Key | OZRNSSUDZOLUSN-LBPRGKRZSA-L |
| CHEBI ID | CHEBI:57451 |
| MiMeDB ID | MMDBc0047851 |
| State | Expected Solid |
| Water Solubility | 1.25e-01 g/l |
| logP | -1.61 |
| logS | -3.55 |
| pKa (Strongest Acidic) | 3.16 |
| pKa (Strongest Basic) | 3.68 |
| Hydrogen Acceptor Count | 11 |
| Hydrogen Donor Count | 7 |
| Polar Surface Area | 207.6 Ų |
| Rotatable Bond Count | 9 |
| Physiological Charge | -2 |
| Formal Charge | 0 |
| Refractivity | 121.19 m³·mol⁻¹ |
| Polarizability | 44.38 |