Metabolite ara-GMP
- Name
- ara-GMP
- Description
- Not Available
- Structure
Structure for ara-GMP
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 362.215
Monoisotopic: 362.050174397 - Chemical Formula
- C10H13N5O8P
- InChI Key
- NAJISGSBIDJGNM-FJFJXFQQSA-N
- InChI
- InChI=1S/C10H13N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6+,9-/m1/s1
- IUPAC Name
- 2-amino-9-[(2R,3S,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-6-oxo-6,9-dihydro-1H-purin-8-yl
- SMILES
- NC1=NC2=C(N=[C]N2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]2O)C(=O)N1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source logP -3.4 Chemaxon pKa (Strongest Acidic) 1.23 Chemaxon pKa (Strongest Basic) -0.68 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 201.75 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 74.58 m3·mol-1 Chemaxon Polarizability 29.7 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon