sodium 6-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-7-hydroxy-2-oxo-hexahydro-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-2-olate

• ChemBase ID: 102383
• Molecular Formular: C10H11N5NaO7P
• Molecular Mass: 367.187171
• Monoisotopic Mass: 367.02937863
• SMILES: [Na+].Nc1nc2c(ncn2C2OC3COP(=O)([O-])OC3C2O)c(=O)[nH]1
• Canonical SMILES: OC1C2OP(=O)([O-])OCC2OC1n1cnc2c1nc(N)[nH]c2=O.[Na+]
• InChI: InChI=1S/C10H12N5O7P.Na/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6;/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17);/q;+1/p-1
• InChIKey: KMPIYXNEROUNOG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 6-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-7-hydroxy-2-oxo-hexahydro-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-2-olate
• IUPAC Traditional name: potassium 6-(2-amino-6-oxo-1H-purin-9-yl)-7-hydroxy-2-oxo-tetrahydro-4H-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-2-olate
• Synonyms: 3',5'-Cyclic GMP monosodium salt; Guanosine 3',5'-cyclophosphate monosodium salt; GUANOSINE-3',5'-cyclic-MONOPHOSPHORIC ACID SODIUM SALT

Database IDs

• CAS Number: 40732-48-7
• EC Number: 255-056-0
• PubChem SID: 162088427
• PubChem CID: 44134751

CALCULATED PROPERTIES

• Acid pKa: 2.0500584
• H Acceptors: 8
• H Donor: 3
• LogD (pH = 5.5): -4.2590003
• LogD (pH = 7.4): -4.309573
• Log P: -2.0959094
• Molar Refractivity: 70.5933 cm^3
• Polarizability: 27.621025 Å^3
• Polar Surface Area: 173.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C

Product Information

• Purity: ~95%

DETAILS

MP Biomedicals - 02101433

Purity: ~95%