phosphoric acid hydrate sodium

• ChemBase ID: 105591
• Molecular Formular: H5NaO5P
• Molecular Mass: 139.000231
• Monoisotopic Mass: 138.97722917
• SMILES: O.[Na].OP(=O)(O)O
• Canonical SMILES: OP(=O)(O)O.O.[Na]
• InChI: InChI=1S/Na.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2
• InChIKey: AXCRQNJHVGYJII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phosphoric acid hydrate sodium
• IUPAC Traditional name: phosphoric acid hydrate potassium
• Synonyms: SODIUM PHOSPHATE MONOBASIC MONOHYDRATE ACS REAGENT GRADE; SODIUM PHOSPHATE MONOBASIC MONOHYDRATE, USP GRADE

Database IDs

• CAS Number: 10049-21-5
• EC Number: 231-449-2
• PubChem SID: 162092150
• PubChem CID: 6335832

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 14.6519 cm^3
• Polarizability: 5.927813 Å^3
• Polar Surface Area: 77.76 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 214°C

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate

Product Information

• Purity: 98.0-102.0%
• Grade: ACS; REAGENT; USP

DETAILS

MP Biomedicals - 02191442

Monohydrate
ACS Reagent Grade
Purity: 98.0-102.0%
Insoluble Matter: =0.01%
White crystalline powder.