2-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

• ChemBase ID: 105835
• Molecular Formular: C10H13N5O5
• Molecular Mass: 283.24072
• Monoisotopic Mass: 283.09166854
• SMILES: OCC1OC(C(O)C1O)n1cnc2c1[nH]c(=N)nc2O
• Canonical SMILES: OCC1OC(C(C1O)O)n1cnc2c1[nH]c(=N)nc2O
• InChI: InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)
• InChIKey: NYHBQMYGNKIUIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
• IUPAC Traditional name: 2-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
• Synonyms: 9-[β-D-Ribofuranosyl] guanine; GUANOSINE

Database IDs

• CAS Number: 118-00-3
• EC Number: 204-227-8
• PubChem SID: 162094214
• PubChem CID: 765

CALCULATED PROPERTIES

• Acid pKa: 6.9804406
• H Acceptors: 9
• H Donor: 6
• LogD (pH = 5.5): -2.0301743
• LogD (pH = 7.4): -2.5744154
• Log P: -2.00987
• Molar Refractivity: 75.2022 cm^3
• Polarizability: 24.477156 Å^3
• Polar Surface Area: 156.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 250°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: MF8750000

DETAILS

MP Biomedicals - 02194682

Cell Culture Reagent
Crystalline