2,8-bis(trimethylsilyl)-7H-purin-6-ol

• ChemBase ID: 108379
• Molecular Formular: C11H20N4OSi2
• Molecular Mass: 280.4737
• Monoisotopic Mass: 280.11756434
• SMILES: C[Si](C)(C)c1nc2c([nH]1)c(O)nc(n2)[Si](C)(C)C
• Canonical SMILES: Oc1nc(nc2c1[nH]c(n2)[Si](C)(C)C)[Si](C)(C)C
• InChI: InChI=1S/C11H20N4OSi2/c1-17(2,3)10-12-7-8(13-10)14-11(15-9(7)16)18(4,5)6/h1-6H3,(H2,12,13,14,15,16)
• InChIKey: JYRQNUASBVHTCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,8-bis(trimethylsilyl)-7H-purin-6-ol
• IUPAC Traditional name: 2,8-bis(trimethylsilyl)-7H-purin-6-ol
• Synonyms: bis(TRIMETHYLSILYL)HYPOXANTHINE

Database IDs

• CAS Number: 17962-89-9
• PubChem SID: 162094373
• PubChem CID: 25021310

CALCULATED PROPERTIES

• Acid pKa: 8.904098
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 4.7522426
• LogD (pH = 7.4): 4.740759
• Log P: 4.7525
• Molar Refractivity: 67.0465 cm^3
• Polarizability: 29.746733 Å^3
• Polar Surface Area: 74.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05207148

MP Biomedicals Rare Chemical collection