(2S,3S)-2,3-dihydroxybutanedioic acid

• ChemBase编号: 102884
• 分子式: C4H6O6
• 平均质量: 150.08684
• 单一同位素质量: 150.01643791
• SMILES: O=C(O)[C@@H](O)[C@H](O)C(=O)O
• Canonical SMILES: O[C@@H]([C@@H](C(=O)O)O)C(=O)O
• InChI: InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1
• InChIKey: FEWJPZIEWOKRBE-LWMBPPNESA-N

名称和登记号

名称

• IUPAC标准名: (2S,3S)-2,3-dihydroxybutanedioic acid
• IUPAC传统名: D-tartaric acid
• 别名: (2S,3S)-(-)-酒石酸; D-2,3-二羟基丁二酸; D-(-)-酒石酸; DL-2,3-二羟基丁二酸 溶液; DL-酒石酸 溶液; DL-2,3-二羟基丁二酸; DL-酒石酸; (2S,3S)-(-)-Tartaric acid; D-(-)-Tartaric acid; DL-2,3-Dihydroxybutanedioic acid solution; DL-Tartaric acid solution; D-2,3-Dihydroxybutanedioic acid; D-Threaric acid; D-(-)-TARTARIC ACID; DL-2,3-Dihydroxybutanedioic acid; DL-Tartaric acid; (2S,3S)-2,3-Dihydroxysuccinic acid

登记号

• CAS号: 133-37-9; 147-71-7
• EC号: 205-695-6; 205-105-7
• MDL号: MFCD00004238; MFCD00071626
• Beilstein号: 1725148; 1725145
• 默克索引号: 149068
• PubChem SID: 24890132; 24900184; 24871919; 24900012; 24845619; 162091205; 24890130
• PubChem CID: 439655
• FEMA编号: 3044
• Flavis Number: 8.018

理论计算性质

• Acid pKa: 2.719041
• 质子受体: 6
• 质子供体: 4
• LogD (pH = 5.5): -5.323427
• LogD (pH = 7.4): -7.890869
• Log P: -1.8287998
• 摩尔折射率: 26.2134 cm^3
• 极化性: 10.871467 Å^3
• 极化表面积: 115.06 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble0.1 g/mL, clear
• 熔点: 166-170°C; 167-171 °C; 172-174 °C(lit.); 210-212 °C(lit.)
• 闪点: 210 °C; 210°C(410°F); 410 °F
• 比旋光度: [α]20/D -12°, c = 20 in H2O; [α]20/D -13.5±0.5°, c = 10% in H2O; -13 (c=10 in water)

安全信息

• 保存条件: Room Temperature (15-30°C)
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 2; 3
• 危险公开号: 36/37/38
• 安全公开号: 26; 26-36/37; 26-37
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Gloves

产品相关信息

• 纯度: ≥99%; ≥99.0% (T); ≥99.5% (T); ≥99.9995% (metals basis); 95+%; 99%
• 浓度: 0.1 M HOOC(CHOH)2COOH (0.2N)
• 级别: for ion chromatography; puriss.; purum; ReagentPlus®; TraceSELECT®
• 光学纯度: ee: 97% (GLC); ee: 99% (GLC)
• 燃烧残渣: ≤0.05%
• 简要说明: synthetic
• 痕量阳离子: Ag: ≤0.01 mg/kg; Al: ≤0.5 mg/kg; Al: ≤5 mg/kg; As: ≤0.01 mg/kg; Au: ≤0.01 mg/kg; Ba: ≤0.01 mg/kg; Ba: ≤5 mg/kg; Be: ≤0.01 mg/kg; Bi: ≤0.01 mg/kg; Bi: ≤5 mg/kg; Ca: ≤0.1 mg/kg; Ca: ≤10 mg/kg; Cd: ≤0.01 mg/kg; Cd: ≤5 mg/kg; Ce: ≤0.01 mg/kg; Co: ≤0.01 mg/kg; Co: ≤5 mg/kg; Cr: ≤0.05 mg/kg; Cr: ≤5 mg/kg; Cs: ≤0.01 mg/kg; Cu: ≤0.01 mg/kg; Cu: ≤5 mg/kg; Dy: ≤0.01 mg/kg; Er: ≤0.01 mg/kg; Eu: ≤0.01 mg/kg; Fe: ≤0.1 mg/kg; Fe: ≤5 mg/kg; Ga: ≤0.01 mg/kg; Gd: ≤0.01 mg/kg; Ge: ≤0.05 mg/kg; Hf: ≤0.01 mg/kg; Hg: ≤0.01 mg/kg; Ho: ≤0.01 mg/kg; In: ≤0.01 mg/kg; Ir: ≤0.01 mg/kg; K: ≤0.1 mg/kg; K: ≤10 mg/kg; La: ≤0.01 mg/kg; Li: ≤0.01 mg/kg; Li: ≤5 mg/kg; Lu: ≤0.01 mg/kg; Mg: ≤0.05 mg/kg; Mg: ≤5 mg/kg; Mn: ≤0.01 mg/kg; Mn: ≤5 mg/kg; Mo: ≤0.01 mg/kg; Mo: ≤5 mg/kg; Na: ≤0.5 mg/kg; Na: ≤10 mg/kg; Nb: ≤0.01 mg/kg; Nd: ≤0.01 mg/kg; NH4+: ≤10 mg/kg; Ni: ≤0.01 mg/kg; Ni: ≤5 mg/kg; Os: ≤0.01 mg/kg; Pb: ≤0.01 mg/kg; Pb: ≤5 mg/kg; Pd: ≤0.01 mg/kg; Pr: ≤0.01 mg/kg; Pt: ≤0.05 mg/kg; Rb: ≤0.01 mg/kg; Re: ≤0.01 mg/kg; Rh: ≤0.01 mg/kg; Ru: ≤0.01 mg/kg; Sb: ≤0.01 mg/kg; Sc: ≤0.05 mg/kg; Se: ≤0.05 mg/kg; Sm: ≤0.01 mg/kg; Sn: ≤0.01 mg/kg; Sr: ≤0.01 mg/kg; Sr: ≤5 mg/kg; Ta: ≤0.01 mg/kg; Tb: ≤0.01 mg/kg; Te: ≤0.01 mg/kg; Th: ≤0.01 mg/kg; Ti: ≤0.05 mg/kg; Tl: ≤0.01 mg/kg; Tm: ≤0.01 mg/kg; U: ≤0.01 mg/kg; V: ≤0.01 mg/kg; Y: ≤0.01 mg/kg; Yb: ≤0.01 mg/kg; Zn: ≤0.05 mg/kg; Zn: ≤5 mg/kg; Zr: ≤0.05 mg/kg
• 痕量阴离子: chloride (Cl-): ≤5 mg/kg; phosphate (PO43-): ≤10 mg/kg; sulfate (SO42-): ≤20 mg/kg
• 有效期: (limited shelf life, expiry date on the label ); (limited shelf life, expiry date on the label)
• 品质说明: unnatural form
• 线性分子式: HO2CCH(OH)CH(OH)CO2H; HOOC(CHOH)2COOH

详细说明

MP Biomedicals - 02104915

Synthetic
Crystalline
Purity: 99%

Sigma Aldrich - T0250

Other Notes
非天然异构体

Sigma Aldrich - T206

Other Notes
非天然异构体
包装
25, 100 g in poly bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - T400

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
包装
25, 100, 500 g in poly bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - W304401

包装
1 kg in poly bottle
1 sample in glass bottle

Sigma Aldrich - 483796

Other Notes
非天然异构体
包装
100 g in poly bottle

Sigma Aldrich - 12819

法律信息
TraceSELECT 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 50433

General description
This certified eluent concentrate for ion chromatography is traceable by potentiometric titration to NIST Standard Reference Material. It is certified in accordance with ISO Guide 31. All details about exact content, uncertainty, traceability and expiry date are described in the certificate.Download at: http://www.sigma-aldrich.com.
Preparation Note
使用 DL-酒石酸和高纯水（18.2MΩ，经过 0.2μm 过滤）制备

Sigma Aldrich - 95320

Other Notes
非天然异构体