1,3-Dihydroxyacetone - ≥99% , CAS No.96-26-4

CAS: 96-26-4 Cat. No.: D189238 分子式: C₃H₆O₃ 分子量: 90.08 EC番号: 202-494-5

GRADE & PURITY ≥99%

Synonyms

Dihydroxyacetone (USP) | Dihydroxyacetone [USP] | EN300-121747 | FEMA NO. 4033 | HY-Y0335 | EINECS 202-494-5 | 1,3-Dihydroxypropan-2-one | DB01775 | DIHYDROXYACETONE [VANDF] | Oxantin | alpha,alpha'-dihydroxyacetone | GS-3764 | Triulose | Chromelin | Oxat

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

Dihydroxyacetone (USP) | Dihydroxyacetone [USP] | EN300-121747 | FEMA NO. 4033 | HY-Y0335 | EINECS 202-494-5 | 1,3-Dihydroxypropan-2-one | DB01775 | DIHYDROXYACETONE [VANDF] | Oxantin | alpha,alpha'-dihydroxyacetone | GS-3764 | Triulose | Chromelin | Oxat

仕様と純度

≥99%

保管条件

Store at 2-8°C

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。

アクションタイプ

INHIBITOR

純度

≥99%

名前と識別子

パブケム・シド

528753764

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528753764

カノニカル・スマイル

C(C(=O)CO)O

IUPAC Name

1,3-dihydroxypropan-2-one

InChIKey

RXKJFZQQPQGTFL-UHFFFAOYSA-N

INCHI

1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2

異性体SMILES

C(C(=O)CO)O

分子量

90.08

Reaxy-Rn

1740268

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740268&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: Monosaccharides
• Alternative Parents: Glycerone and derivatives Alpha-hydroxy ketones Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glycerone or derivatives - Monosaccharide - Alpha-hydroxy ketone - Ketone - Organic oxide - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Alcohol - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as monosaccharides. These are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn.
• External Descriptors: a small molecule

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）

ACR Tchem Acrosin (277 Activities)

Discover Target: ACR

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）

Trypanosoma brucei (78846 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 methanol
• 感度: heat sensitive
• 沸点（°C）: 188℃
• 融点（°C）: 75.0-96.5℃
• 分子量: 90.080 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 90.0317 Da
• Monoisotopic Mass: 90.0317 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 44.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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