3,5,8,10,13,15-hexaoxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,6,11-triene-4,9,14-trione

• ChemBase ID: 127680
• Molecular Formular: C9O9
• Molecular Mass: 252.0909
• Monoisotopic Mass: 251.95423158
• SMILES: O=c1oc2c3oc(=O)oc3c3oc(=O)oc3c2o1
• Canonical SMILES: O=c1oc2c(o1)c1oc(=O)oc1c1c2oc(=O)o1
• InChI: InChI=1S/C9O9/c10-7-13-1-2(14-7)4-6(18-9(12)17-4)5-3(1)15-8(11)16-5
• InChIKey: ZBAXYMCJUNMJHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5,8,10,13,15-hexaoxatetracyclo[10.3.0.0^2,^6.0^7,^1^1]pentadeca-1,6,11-triene-4,9,14-trione
• IUPAC Systematic name: 3,5,8,10,13,15-Hexaoxatetracyclo[10.3.0.0^2,6.0^7,11]pentadeca-1(12),2(6),7(11)-triene-4,9,14-trione
• IUPAC Traditional name: 3,5,8,10,13,15-hexaoxatetracyclo[10.3.0.0^2,^6.0^7,^1^1]pentadeca-1,6,11-triene-4,9,14-trione
• Synonyms: Hexahydroxybenzene triscarbonate

Database IDs

• PubChem SID: 162221998
• PubChem CID: 13382132
• Chemspider ID: 10311361
• Wikipedia Title: Hexahydroxybenzene_triscarbonate

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.15704
• LogD (pH = 7.4): 1.15704
• Log P: 1.15704
• Molar Refractivity: 45.4848 cm^3
• Polarizability: 18.540102 Å^3
• Polar Surface Area: 106.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true