L-Iditol - ≥98% , CAS No.488-45-9

CAS: 488-45-9 Cat. No.: I121079 分子式: C₆H₁₄O₆ 分子量: 182.17 Beilstein Registry Number: 1(4)2843

グレード＆純度 ≥98%

Synonyms

D91196 | AS-56025 | 1Q2H9GC12E | L-Iditol | IDITOL, L- | HY-121654 | Hexahydroxyhexane | Hexahydric alcohol | CHEBI:18202 | DTXSID901337629 | C01507 | Q27102896 | Karion | I0725 | Iditol | L-Idit | MFCD00064289 | (2S,3R,4R,5S)-hexane-1,2,3,4,5,6-hexaol |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

仕様

同義語

D91196 | AS-56025 | 1Q2H9GC12E | L-Iditol | IDITOL, L- | HY-121654 | Hexahydroxyhexane | Hexahydric alcohol | CHEBI:18202 | DTXSID901337629 | C01507 | Q27102896 | Karion | I0725 | Iditol | L-Idit | MFCD00064289 | (2S,3R,4R,5S)-hexane-1,2,3,4,5,6-hexaol |

仕様と純度

≥98%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

508810676

カノニカル・スマイル

C(C(C(C(C(CO)O)O)O)O)O

IUPAC Name

(2S,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol

InChIKey

FBPFZTCFMRRESA-UNTFVMJOSA-N

INCHI

1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m0/s1

異性体SMILES

C([C@@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O

WGKドイツ

3

分子量

182.17

Beilstein

1(4)2843

Reaxy-Rn

8496933

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8496933&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: iditol

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

化学的性質と物理的性質

• 感度: Moisture sensitive
• 比旋光度［α］: -3° (C=1,H2O)
• 融点（°C）: 77 °C
• 分子量: 182.170 g/mol
• XLogP3: -3.100
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 182.079 Da
• Monoisotopic Mass: 182.079 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 105.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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