6'-(hexanoyloxy)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3'-yl hexanoate

• ChemBase ID: 102446
• Molecular Formular: C32H32O7
• Molecular Mass: 528.59228
• Monoisotopic Mass: 528.21480336
• SMILES: CCCCCC(=O)Oc1ccc2c(Oc3c(ccc(OC(=O)CCCCC)c3)C32OC(=O)c2c3cccc2)c1
• Canonical SMILES: CCCCCC(=O)Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)OC(=O)CCCCC
• InChI: InChI=1S/C32H32O7/c1-3-5-7-13-29(33)36-21-15-17-25-27(19-21)38-28-20-22(37-30(34)14-8-6-4-2)16-18-26(28)32(25)24-12-10-9-11-23(24)31(35)39-32/h9-12,15-20H,3-8,13-14H2,1-2H3
• InChIKey: DHSNCRHSIFNRJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6'-(hexanoyloxy)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3'-yl hexanoate
• IUPAC Traditional name: 6'-(hexanoyloxy)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl hexanoate
• Synonyms: FLUORESCEIN DICAPROATE

Database IDs

• CAS Number: 7364-90-1
• PubChem SID: 162088739
• PubChem CID: 26369041

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 7.770479
• LogD (pH = 7.4): 7.770479
• Log P: 7.770479
• Molar Refractivity: 146.3829 cm^3
• Polarizability: 56.775696 Å^3
• Polar Surface Area: 88.13 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 0°C

DETAILS

MP Biomedicals - 02101718

Crystalline