5-hydroxy-2,8,9-trioxa-1-ferrabicyclo[3.3.2]decane-3,7,10-trione

• ChemBase ID: 105939
• Molecular Formular: C6H5FeO7
• Molecular Mass: 244.9447
• Monoisotopic Mass: 244.938465
• SMILES: OC12CC(=O)O[Fe](OC(=O)C1)OC2=O
• Canonical SMILES: O=C1O[Fe]2OC(=O)CC(C1)(O)C(=O)O2
• InChI: InChI=1S/C6H8O7.Fe/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3
• InChIKey: NPFOYSMITVOQOS-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydroxy-2,8,9-trioxa-1-ferrabicyclo[3.3.2]decane-3,7,10-trione
• IUPAC Traditional name: 5-hydroxy-2,8,9-trioxa-1-ferrabicyclo[3.3.2]decane-3,7,10-trione
• Synonyms: Iron(III) citrate hydrate; Iron(III) citrate; Ferric citrate monohydrate; Iron(III) citrate tribasic monohydrate; Ferric citrate; Iron[III]citrate; FERRIC CITRATE; 枸橼酸铁; 柠檬酸铁 一水合物; 柠檬酸铁(III) 一水合物; 柠檬酸铁

Database IDs

• CAS Number: 3522-50-7; 2338-05-8
• EC Number: 219-045-4; 222-536-6
• MDL Number: MFCD00013098
• Beilstein Number: 4052503
• PubChem SID: 162087661; 24894901; 24894843; 24868477
• PubChem CID: 4989393

CALCULATED PROPERTIES

• Acid pKa: 11.86321
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.08860019
• LogD (pH = 7.4): -0.08861493
• Log P: -0.7886
• Molar Refractivity: 32.8411 cm^3
• Polarizability: 17.351368 Å^3
• Polar Surface Area: 99.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C), Protect from light
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39
• EU Hazard Identification Number: 11
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 18-20% Fe basis (T)
• Grade: purum p.a.; technical grade
• Compostion: Fe, 16.5-18.5%
• Suitability: suitable for cell culture
• Cation Traces: Ca: ≤100 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cu: ≤50 mg/kg; K: ≤500 mg/kg; Na: ≤200 mg/kg; Ni: ≤100 mg/kg; Pb: ≤50 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤500 mg/kg
• Empirical Formula (Hill Notation): C6H5FeO7 · H2O

DETAILS

MP Biomedicals - 02195181

Crystalline

Sigma Aldrich - F3388

Application
Provides a source of iron used in cell culture applications. Provides iron in a less toxic form than free iron salts.

Sigma Aldrich - F6129

包装
1 kg in poly bottle
250 g in poly bottle