Metabolite ara-GTP
- Name
- ara-GTP
- Description
- Not Available
- Structure
Structure for ara-GTP
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 522.172
Monoisotopic: 521.982836177 - Chemical Formula
- C10H15N5O14P3
- InChI Key
- POCLUUIABNTYLX-FJFJXFQQSA-N
- InChI
- InChI=1S/C10H15N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(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-({[hydroxy({[hydroxy(phosphonooxy)phosphoryl]oxy})phosphoryl]oxy}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)OP(O)(=O)OP(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 -4 Chemaxon pKa (Strongest Acidic) 0.9 Chemaxon pKa (Strongest Basic) -1.2 Chemaxon Physiological Charge -4 Chemaxon Hydrogen Acceptor Count 14 Chemaxon Hydrogen Donor Count 8 Chemaxon Polar Surface Area 294.81 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 96.33 m3·mol-1 Chemaxon Polarizability 37.82 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 Yes Chemaxon