(1α,​3R,​4α,​5R)​-​1,​3,​4,​5-​Tetrahydroxycyclohex​anecarboxylic acid (-)-1,3,4,5-四羟基-1-环己甲酸

CAS 77-95-2 MFCD00003864

化学结构图

77-95-2
SMILES: O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1

化学属性

Mol. FormulaC7H12O6
Mol. Weight192
Density1.828
Melting Point166-168
TSCANo
Solubility400 G/L (20 ºC)
Refractive index-43.5 ° (C=10, H2O)

别名和识别编码

Chemical Name(1α,​3R,​4α,​5R)​-​1,​3,​4,​5-​Tetrahydroxycyclohex​anecarboxylic acid
Synonym (-)-1α,3α,4α,5β-Quinic acid (-)-QUINIC ACID (-)-Quinic acid (1R,3R,4R,5R)(-)quinic acid (1R,3R,4R,5R)-(-)-quinic acid (1R,3R,4S,5R)-1,3,4,5-Tetrahydroxycyclohexane-1-carboxylic Acid (Quinic acid) (3R,5R)-1,3,4,5-TETRAHYDROXY-CYCLOHEXANECARBOXYLIC ACID 1,3,4,5-TETRAHYDROXYCYCLOHEXANECARBOXYLIC ACID 1,3,4,5-Tetrahydroxy-(1α,3R, 1,3,4,5-Tetrahydroxycyclohexancarbonsäure 1,3,4,5-tetrahydroxy-,[1R-(1-.alpha.,3-.alpha.,4-.alpha.,5-.beta.)]-Cyclohexanecarboxylicacid Acid, Quinic CHINIC ACID Chinasaure D(-)-1,3,4,5-Tetrahydroxycyclohexan-1-carbonsäure D(-)-Chinasäure D-(-)-奎宁酸 D-(-)-奎尼酸 Quinate Quinic Acid Quinic acid, (-)- {} {} { {} {} {u {} {} {uni_hamburg 六氢-1,3,4,5,-四羟基苯甲酸 {Chemica
MDL NumberMFCD00003864
PubChem Substance ID6508
Beilstein Registry Number2212412
CAS Number77-95-2
EC Number201-072-8
Merck Number8059
Chemical Name Translation(-)-1,3,4,5-四羟基-1-环己甲酸
Reaxys-RN2212412
Wiswesser Line NotationL6TJ AVQ AQ CQ DQ EQ -D
LabNetwork Molecule IDLN00238858
InChIInChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5?,7?/m1/s1
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分类

  • {SNA} Allium cepa (Onion), Asymmetric Synthesis, Chemical Synthesis, Chiral Resolution Reagents, Chiral Resolving Reagents, Cichorium intybus (Chicory), Ginkgo biloba, Nutrition Research, Phytochemicals by Plant (Food/Spice/Herb), Vaccinium macrocarpon (Cranberry), Vaccinium myrtillus (Bilberry)
  • {SNA} Allium cepa (Onion),
  • {uni_hamburg} no charge; carbocycle; alicycle; 6RingOnly; 6ring; carboxylic acid; alcohol; chiral; 1fragment
  • {SNA} Allium cepa (Onion), Asymmetric Synthesis, Cell Biology, Chemical Synthesis, Chiral Resolution Reagents, Chiral Resolving Reagents, Cichorium intybus (Chicory), Ginkgo biloba, Nutrition Research, Phytochemicals by Plant (Food/Spice/Herb), Vaccinium macrocarpon (Cranberry),
  • {SNA} All

相关文献及参考

  • Short: IV/1a
  • Chiral starting material, used for example in the synthesis of the angucycline antibiotics urdamycinone B and 104-2: J. Am. Chem. Soc., 117, 8472 (1995).
  • Short: EINECS

安全信息

Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
RTECSGU8650000
GHS Symbol
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P333+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word Warning Danger
Safety Statements
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Storage condition 储存温度2-8℃ 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 10 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZGEMAZ Zeitschrift fuer die Gesamte Experimentelle Medizin.  (Berlin, Fed.
   Rep. Ger.)  V.1-139, 1913-65.  For publisher information, see REXMAS.
   Volume(issue)/page/year: 113,536,1944

其他信息

  • Alfa Aesar:D-(-)-奎尼酸,98% D-(-)-Quinic acid, 98%(77-95-2)
  • MSDS 信息:1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid(77-95-2).msds
  • TCI Shanghai:D-(-)-奎尼酸 D-(-)-Quinic Acid,>;98.0%(T)(77-95-2)
  • Sigma Aldrich:77-95-2(sigmaaldrich)
  • 图谱信息:右旋奎宁酸(77-95-2)红外图谱(IR2) 右旋奎宁酸(77-95-2)Raman光谱 右旋奎宁酸(77-95-2)核磁图( 13 CNMR) 右旋奎宁酸(77-95-2)核磁图( 1 HNMR) 右旋奎宁酸(77-95-2)红外图谱(IR1)
  • 右旋奎宁酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 Q0009 D-(-)-奎尼酸 D-(-)-Quinic Acid 25G 615元 2010/06/21 160501000 右旋奎宁酸 D(-)-Quinic acid 98+% 100 GR 1961元 2010/06/21 160500250 右旋奎宁酸 D(-)-Quinic acid 98+% 25 GR 608元
  • Acros Organics:D-(-)-奎宁酸 D(-)-Quinic acid, 98+%(77-95-2)
  • MOL 文件:77-95-2.mol
  • 比旋光度:-44 ° (c=11.2, H2O)
  • 海关编码:29181980

系列性分类

  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Resolution Reagents - Asymmetric Synthesis
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Organic Acids - Synthetic Reagents
  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Plant (Food/Spice/Herb) - Nutrition Research
  4. Ginkgo biloba - Phytochemicals by Plant (Food/Spice/Herb)
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Food & Beverage Standards - Chromatography
  5. Organic Acids - Food & Beverage Standards
  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Resolution Reagents - Asymmetric Synthesis
  4. Chiral Resolving Reagents - Chiral Resolution Reagents
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Lipids - Biochemicals and Reagents
  4. Other Lipid Related Products - Lipids
  5. Lipid Analytical Standards - Other Lipid Related Products
  6. Fatty Acids - Lipid Analytical Standards
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Optical Resolution
  1. Functional Group 官能团索引
  2. alpha-hydroxyacid
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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