(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[({[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydrofuran-3-yl]oxy}ferrio)oxy]-3-hydroxy-2,5-dihydrofuran-2-one

• ChemBase编号: 132550
• 分子式: C12H14FeO12
• 平均质量: 406.07736
• 单一同位素质量: 405.98346339
• SMILES: C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O[Fe]OC1=C(C(=O)O[C@@H]1[C@H](CO)O)O)O)O
• Canonical SMILES: OC[C@@H]([C@H]1OC(=O)C(=C1O[Fe]OC1=C(O)C(=O)O[C@@H]1[C@H](CO)O)O)O
• InChI: InChI=1S/2C6H8O6.Fe/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*2,5,7-10H,1H2;/q;;+2/p-2/t2*2-,5+;/m00./s1
• InChIKey: RFBYLSCVRUTUSB-ZZMNMWMASA-L

名称和登记号

名称

• IUPAC标准名: (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[({[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydrofuran-3-yl]oxy}ferrio)oxy]-3-hydroxy-2,5-dihydrofuran-2-one
• IUPAC传统名: (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[({[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl]oxy}ferrio)oxy]-3-hydroxy-5H-furan-2-one
• 别名: L-(+)-抗坏血酸 亚铁盐; 维生素 C 亚铁盐; Ferrous ascorbate; (+)-Iron(II) L-ascorbate; L-(+)-Ascorbic acid iron(II) salt; Vitamin C iron(II) salt

登记号

• CAS号: 24808-52-4
• EC号: 246-469-7
• MDL号: MFCD00137682
• PubChem SID: 24890411; 162226827
• PubChem CID: 54695720

理论计算性质

• Acid pKa: 7.6343966
• 质子受体: 10
• 质子供体: 6
• LogD (pH = 5.5): -4.06138
• LogD (pH = 7.4): -4.278021
• Log P: -4.0582
• 摩尔折射率: 71.6354 cm^3
• 极化性: 31.410694 Å^3
• 极化表面积: 192.44 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: dark brown crystalline

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥90% (calc. based on dry substance, RT); ≥90% (titration)
• 干燥失重: ≤10% loss on drying
• Empirical Formula (Hill Notation): C12H14FeO12

详细说明

Sigma Aldrich - A0207

Caution
May darken in storage.
Biochem/physiol Actions
Iron-ascorbate (ferrous-ascorbate) is used as a reagent in cell culture and other systems to evaluate various aspects of oxidative stress and anti-oxidation mechanisms.