Menadiol sodium diphosphateProduct ingredient for Menadiol diphosphate
- Name
- Menadiol sodium diphosphate
- Drug Entry
- Menadiol diphosphate
- Accession Number
- DBSALT002791
- Structure
Structure for Menadiol sodium diphosphate (DBSALT002791)
- Synonyms
- Kappadione / Menadiol sodium diphosphate hexahydrate / Synkayvite
- UNII
- 2OVL75B30W
- CAS Number
- 6700-42-1
- Weight
- Average: 530.174
Monoisotopic: 529.99190644 - Chemical Formula
- C11H20Na4O14P2
- InChI Key
- QIWDGSYHBCMXSI-UHFFFAOYSA-J
- InChI
- InChI=1S/C11H12O8P2.4Na.6H2O/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17;;;;;;;;;;/h2-6H,1H3,(H2,12,13,14)(H2,15,16,17);;;;;6*1H2/q;4*+1;;;;;;/p-4
- IUPAC Name
- tetrasodium hexahydrate 2-methyl-4-(phosphonooxy)naphthalen-1-yl phosphate
- SMILES
- O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].CC1=C(OP([O-])([O-])=O)C2=CC=CC=C2C(OP([O-])([O-])=O)=C1
- External Links
- ChemSpider
- 171252
- ChEMBL
- CHEMBL3989728
- Predicted Properties
Property Value Source Water Solubility 8.03 mg/mL ALOGPS logP 2.37 ALOGPS logP 1.56 Chemaxon logS -1.7 ALOGPS pKa (Strongest Acidic) 1.47 Chemaxon Physiological Charge -4 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 144.84 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 68.77 m3·mol-1 Chemaxon Polarizability 26.19 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon