D-Iditol - ≥98%(HPLC) , CAS No.25878-23-3

CAS: 25878-23-3 Cat. No.: S161069 분자식: C₆H₁₄O₆ 분자량: 182.17 Beilstein Registry Number: 1544

등급 & 순도 ≥98%(HPLC)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

개요

D-Iditol is a polyol. It inhibits glucosidase I, but not glucosidase II, when used at a concentration of ~1 mM.

사양

사양 및 순도

≥98%(HPLC)

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%(HPLC)

이름과 식별자

Pubchem Sid

508810451

정식 스마일

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

IUPAC Name

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

InChIKey

FBPFZTCFMRRESA-ZXXMMSQZSA-N

INCHI

1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m1/s1

이성체 SMILES

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

분자량

182.17

Beilstein

1544

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
    • 분류 Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in water；DMF: 1 mg/ml,DMSO: 2 mg/ml,Ethanol: insol,PBS (pH 7.2): 5 mg/ml
• 감도: Hygroscopic
• 특정 회전[α]: 3° (C=1,H2O)
• 끓는점(°C): 230°C(lit.)
• 녹는점(°C): 76 °C
• 분자량: 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