DL-Arabitol - ≥97% , CAS No.6018-27-5

CAS: 6018-27-5 Cat. No.: D356050 分子式: C₅H₁₂O₅ 分子量: 152.15 Beilstein Registry Number: 1720524 EC番号: 207-685-7

GRADE & PURITY ≥97%

Synonyms

MFCD00070503 | Methyl decenoate | A827623 | D-(+)-Arabitol, >=99% | Lyxitol | ARABITE | SR-01000633502-1 | SR-01000633502-3 | (+)-ARABITOL | AS-11643 | D-lyxo-Pentitol | DTXCID2025979 | Oprea1_838482 | BOA443XF1X | D-Lyxitol | Isobutyl cis-2-methyl-2-bute

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

MFCD00070503 | Methyl decenoate | A827623 | D-(+)-Arabitol, >=99% | Lyxitol | ARABITE | SR-01000633502-1 | SR-01000633502-3 | (+)-ARABITOL | AS-11643 | D-lyxo-Pentitol | DTXCID2025979 | Oprea1_838482 | BOA443XF1X | D-Lyxitol | Isobutyl cis-2-methyl-2-bute

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

製品の性質

• pKa: pKₐ: 13.24 (Predicted)

名前と識別子

• パブケム・シド: 508810504
• カノニカル・スマイル: C(C(C(C(CO)O)O)O)O
• IUPAC Name: (2R,4R)-pentane-1,2,3,4,5-pentol
• InChIKey: HEBKCHPVOIAQTA-QWWZWVQMSA-N
• INCHI: 1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1
• 異性体SMILES: C([C@H](C([C@@H](CO)O)O)O)O
• RTECS: VJ0800000
• 代替CAS番号: 2152-56-9
• 分子量: 152.15
• Beilstein: 1720524
• Reaxy-Rn: 1902256
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1902256&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Sugar alcohols
• Alternative Parents: Monosaccharides Secondary alcohols Polyols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sugar alcohol - Monosaccharide - Secondary alcohol - Polyol - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group.
• External Descriptors: arabinitol

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

関連ターゲット（人間）

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

関連ターゲット（非人間）

Caenorhabditis elegans (1055 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water (100 mg/ml).
• 屈折率: n20D1.57 (Predicted)
• 沸点（°C）: ~494.5° C (Predicted)
• 融点（°C）: 106° C
• 分子量: 152.150 g/mol
• XLogP3: -2.500
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 152.068 Da
• Monoisotopic Mass: 152.068 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 76.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

参考文献

1. Hengtao Tang, Zhi Chen, Yu Shao, Xin Ju, Liangzhi Li.  (2022)  Development of an enzymatic cascade to systematically utilize lignocellulosic monosaccharide.  JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE,  103  (4): (1974-1980).  [PMID:36448581] [10.1002/jsfa.12364]

2. Liangqing Zhang, Jiarong Qiu, Xing Tang, Yong Sun, Xianhai Zeng, Lu Lin.  (2021)  Efficient Synthesis of Sugar Alcohols over a Synergistic and Sustainable Catalyst.  CHINESE JOURNAL OF CHEMISTRY,  39  (9): (2467-2476).  [PMID:] [10.1002/cjoc.202100140]

3. Gan Xiaorong, Zhao Huimin, Schirhagl Romana, Quan Xie.  (2019)  Non enzymatic fluorometric determination of glucose by using quenchable g-C3N4 quantum dots.  MICROCHIMICA ACTA,  186  (12): (1-10).  [PMID:31728637] [10.1007/s00604-019-3990-8]

4. Xue-Feng Shao, Chao Wang, Yong-Jian Yang, Biao Feng, Zi-Qin Zhu, Wu-Jun Wang, Yi Zeng, Li-Wu Fan.  (2018)  Screening of sugar alcohols and their binary eutectic mixtures as phase change materials for low-to-medium temperature latent heat storage. (Ⅰ): Non-isothermal melting and crystallization behaviors.  ENERGY,      [PMID:] [10.1016/j.energy.2018.07.081]

5. Feng Sha, Yucong Zheng, Jiao Chen, Kequan Chen, Fei Cao, Ming Yan, Pingkai Ouyang.  (2018)  D-Tagatose manufacture through bio-oxidation of galactitol derived from waste xylose mother liquor.  GREEN CHEMISTRY,  20  (10): (2382-2391).  [PMID:] [10.1039/C8GC00091C]

6. Rui Jia, Keyan Sun, Rongchun Li, Youyou Zhang, Wenxia Wang, Heng Yin, Dawei Fang, Quan Shi, Zhicheng Tan.  (2017)  Heat capacities of some sugar alcohols as phase change materials for thermal energy storage applications.  JOURNAL OF CHEMICAL THERMODYNAMICS,      [PMID:] [10.1016/j.jct.2017.08.004]

7. Yongchun Huang, Jie Bai, Jinman Shui, Zhanhai Su, Chengzhu Cao, Haiyan Wang, Qiong Wu, Shoude Zhang.  (2025)  Simultaneous determination of the monosaccharide types and their absolute configurations in polysaccharides based on UPLC-MS/MS.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:39788268] [10.1016/j.ijbiomac.2025.139647]