sodium 7-sodio-7H-purin-6-olate

• ChemBase ID: 102910
• Molecular Formular: C5H2N4Na2O
• Molecular Mass: 180.07512
• Monoisotopic Mass: 180.00239927
• SMILES: [Na+].[O-]c1ncnc2c1n([Na])cn2
• Canonical SMILES: [Na]n1cnc2c1c([O-])ncn2.[Na+]
• InChI: InChI=1S/C5H3N4O.2Na/c10-5-3-4(7-1-6-3)8-2-9-5;;/h1-2H,(H-,6,7,8,9,10);;/q-1;2*+1/p-1
• InChIKey: JPOVYURXCDZDIC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 7-sodio-7H-purin-6-olate
• IUPAC Traditional name: potassium 7-sodiopurin-6-olate
• Synonyms: 6-Hydroxypurine disodium salt; 1,7-Dihydro-6H-purin-6-one disodium salt; 9H-Purin-6-ol disodium salt; Purin-6(3H)-one disodium salt; 6(1H)-Purinone disodium salt; HYPOXANTHINE DISODIUM SALT

Database IDs

• PubChem SID: 162105691
• PubChem CID: 44134773

CALCULATED PROPERTIES

• Acid pKa: 12.995617
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.7121052
• LogD (pH = 7.4): -1.7109154
• Log P: -1.7109
• Molar Refractivity: 46.661 cm^3
• Polarizability: 14.253076 Å^3
• Polar Surface Area: 66.66 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: > 300°C

Safety Information

• Storage Condition: 0°C, Desiccate
• RTECS: UP0791000

Product Information

• Purity: ≥98%

DETAILS

MP Biomedicals - 02105451

Disodium Salt Purity: > 98%