furo[3,2-d]pyrimidine-2,4-diol

• ChemBase ID: 288830
• Molecular Formular: C6H4N2O3
• Molecular Mass: 152.10756
• Monoisotopic Mass: 152.022192
• SMILES: Oc1nc(O)c2occc2n1
• Canonical SMILES: Oc1nc(O)c2c(n1)cco2
• InChI: InChI=1S/C6H4N2O3/c9-5-4-3(1-2-11-4)7-6(10)8-5/h1-2H,(H2,7,8,9,10)
• InChIKey: UEICIOHAOMRQDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furo[3,2-d]pyrimidine-2,4-diol
• IUPAC Traditional name: furo[3,2-d]pyrimidine-2,4-diol
• Synonyms: Furo[3,2-d]pyrimidine-2,4-diol

Database IDs

• CAS Number: 956034-06-3
• MDL Number: MFCD11520867
• PubChem SID: 180674361
• PubChem CID: 11564502

CALCULATED PROPERTIES

• Acid pKa: 10.733585
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2608196
• LogD (pH = 7.4): 1.2606239
• Log P: 1.260822
• Molar Refractivity: 35.4127 cm^3
• Polarizability: 14.208814 Å^3
• Polar Surface Area: 79.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%