FOSFOMYCIN SODIUM

The IUPAC name of Fosfomycin sodium is tetrasodium [4-[(E)-4-(4-phosphonatooxyphenyl)hex-3-en-3-yl]phenyl] phosphate. With the CAS registry number 23519-26-8, it is also named as Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, bis(dihydrogen phosphate), sodium salt, (E)-. The product's other registry number is 4719-75-9. In addition, its molecular formula is C₁₈H₁₈Na₄O₈P₂ and molecular weight is 516.237322.

The other characteristics of Fosfomycin sodium can be summarized as: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.7; (4)ACD/LogD (pH 7.4): -3.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 153.14 Å²; (13)Flash Point: 346.1 °C; (14)Enthalpy of Vaporization: 100.5 kJ/mol; (15)Boiling Point: 648.7 °C at 760 mmHg; (16)Vapour Pressure: 1.03E-17 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: [Na+].[Na+].[Na+].[Na+].O=P([O-])([O-])Oc1ccc(cc1)\C(=C(\c2ccc(OP([O-])([O-])=O)cc2)CC)CC
(2)InChI: InChI=1/C18H22O8P2.4Na/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24;;;;/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24);;;;/q;4*+1/p-4/b18-17+;;;;
(3)InChIKey: XGZAXRQNRRXUMY-SQFRTWPYBA
(4)Std. InChI: InChI=1S/C18H22O8P2.4Na/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24;;;;/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24);;;;/q;4*+1/p-4/b18-17+;;;;
(5)Std. InChIKey: XGZAXRQNRRXUMY-MJCKVQKWSA-J