6,11-dihydroxy-1-methoxy-5,12-dihydrotetracene-5,12-dione

• ChemBase ID: 184897
• Molecular Formular: C19H12O5
• Molecular Mass: 320.29558
• Monoisotopic Mass: 320.06847348
• SMILES: c12c(C(=O)c3c(C1=O)cccc3OC)c(c1c(c2O)cccc1)O
• Canonical SMILES: COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)cccc2
• InChI: InChI=1S/C19H12O5/c1-24-12-8-4-7-11-13(12)19(23)15-14(18(11)22)16(20)9-5-2-3-6-10(9)17(15)21/h2-8,20-21H,1H3
• InChIKey: ISTYHDDFNKEPGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,11-dihydroxy-1-methoxy-5,12-dihydrotetracene-5,12-dione
• IUPAC Traditional name: 6,11-dihydroxy-1-methoxytetracene-5,12-dione

Database IDs

• PubChem SID: 164240807
• PubChem CID: 3833577

CALCULATED PROPERTIES

• Acid pKa: 9.321239
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 4.443316
• LogD (pH = 7.4): 4.438244
• Log P: 4.443381
• Molar Refractivity: 88.0262 cm^3
• Polarizability: 34.542114 Å^3
• Polar Surface Area: 83.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds