2',4',5',7'-tetraiodo-3H-spiro[2-benzofuran-1,9'-xanthene]-3-one

• ChemBase ID: 105506
• Molecular Formular: C20H8I4O3
• Molecular Mass: 803.8936
• Monoisotopic Mass: 803.66523612
• SMILES: Ic1cc(I)c2Oc3c(I)cc(I)cc3C3(OC(=O)c4ccccc34)c2c1
• Canonical SMILES: Ic1cc(I)c2c(c1)C1(OC(=O)c3c1cccc3)c1c(O2)c(I)cc(c1)I
• InChI: InChI=1S/C20H8I4O3/c21-9-5-13-17(15(23)7-9)26-18-14(6-10(22)8-16(18)24)20(13)12-4-2-1-3-11(12)19(25)27-20/h1-8H
• InChIKey: KNPFJILTTXJDHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2',4',5',7'-tetraiodo-3H-spiro[2-benzofuran-1,9'-xanthene]-3-one
• IUPAC Traditional name: 2',4',5',7'-tetraiodospiro[2-benzofuran-1,9'-xanthene]-3-one
• Synonyms: Solvent Red 140; ERYTHROSIN B FREE ACID; C.I. 45430:2

Database IDs

• CAS Number: 15905-32-5
• EC Number: 240-046-0
• PubChem SID: 162093654
• PubChem CID: 44134701

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.203252
• LogD (pH = 7.4): 8.203252
• Log P: 8.203252
• Molar Refractivity: 140.7083 cm^3
• Polarizability: 54.448498 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: LM5940000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39

Product Information

• Purity: ~98%

DETAILS

MP Biomedicals - 02194590

Cell Culture Reagent
Free Acid
Purity: ~98%

MP Biomedicals - 02190450

C.I. 45430:2
Free Acid
Purity: ~98%