Phosphoramidon disodiumProduct ingredient for Phosphoramidon
- Name
- Phosphoramidon disodium
- Drug Entry
- Phosphoramidon
- Accession Number
- DBSALT001879
- Structure
Structure for Phosphoramidon disodium (DBSALT001879)
- Synonyms
- Phosphoramidon disodium salt
- UNII
- 3F7O684NXF
- CAS Number
- 164204-38-0
- Weight
- Average: 587.473
Monoisotopic: 587.1620698 - Chemical Formula
- C23H32N3Na2O10P
- InChI Key
- OQKHVXFOYFBMDJ-ODIUWQMJSA-L
- InChI
- InChI=1S/C23H34N3O10P.2Na/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15;;/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34);;/q;2*+1/p-2/t12-,16-,17-,18-,19+,20+,23-;;/m0../s1
- IUPAC Name
- disodium (2S)-3-(1H-indol-3-yl)-2-[(2S)-4-methyl-2-[({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phosphinato)amino]pentanamido]propanoate
- SMILES
- [Na+].[Na+].CC(C)C[C@H](NP([O-])(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C([O-])=O
- External Links
- ChemSpider
- 17347244
- ChEMBL
- CHEMBL2028192
- Predicted Properties
Property Value Source Water Solubility 1.4 mg/mL ALOGPS logP 1.06 ALOGPS logP 0.16 Chemaxon logS -2.6 ALOGPS pKa (Strongest Acidic) 2.48 Chemaxon pKa (Strongest Basic) -3.6 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 216.33 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 138.66 m3·mol-1 Chemaxon Polarizability 51.75 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