disodium (3-methyloxiran-2-yl)phosphonate

• ChemBase ID: 103475
• Molecular Formular: C3H5Na2O4P
• Molecular Mass: 182.022701
• Monoisotopic Mass: 181.97208383
• SMILES: [Na+].[Na+].CC1OC1P(=O)([O-])[O-]
• Canonical SMILES: CC1OC1P(=O)([O-])[O-].[Na+].[Na+]
• InChI: InChI=1S/C3H7O4P.2Na/c1-2-3(7-2)8(4,5)6;;/h2-3H,1H3,(H2,4,5,6);;/q;2*+1/p-2
• InChIKey: QZIQJIKUVJMTDG-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium (3-methyloxiran-2-yl)phosphonate
• IUPAC Traditional name: dipotassium 3-methyloxiran-2-ylphosphonate
• Synonyms: Disodium phosphonomycin; Disodium Fosfomycin; (1R,2S)(-)-(1,2-Epoxypropyl) phosphonic acid disodium salt; FOM-Na; Fosfomycin disodium; (2R-cis)-(3-Methyloxiranyl) phosphonic acid disodium salt; PHOSPHOMYCIN

Database IDs

• CAS Number: 26016-99-9
• EC Number: 247-409-2
• PubChem SID: 162090389
• PubChem CID: 6093162

CALCULATED PROPERTIES

• Acid pKa: 1.2504967
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.0407646
• LogD (pH = 7.4): -3.1824315
• Log P: -0.7377749
• Molar Refractivity: 23.6303 cm^3
• Polarizability: 10.472997 Å^3
• Polar Surface Area: 75.72 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 2-8°C, Desiccate
• RTECS: SZ7902000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39

DETAILS

MP Biomedicals - 02151876

Disodium Salt
Antibiotic