D-Glucaric acid - ≥98% , CAS No.87-73-0

CAS: 87-73-0 Cat. No.: D304817 분자식: C₆H₁₀O₈ 분자량: 210.139 EC 번호: 201-768-1

GRADE & PURITY ≥98%

Synonyms

(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid | D-glucarate | SCHEMBL5496 | DB03603 | D-saccharic acid | (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate | D-tetrahydroxyadipate | L-gularate | C00818 | Q424636 | QLZ991V4A2 | D-(+)-saccharate | D-(+)-sa

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

동의어

(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid | D-glucarate | SCHEMBL5496 | DB03603 | D-saccharic acid | (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate | D-tetrahydroxyadipate | L-gularate | C00818 | Q424636 | QLZ991V4A2 | D-(+)-saccharate | D-(+)-sa

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Desiccated

배송

Wet ice

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작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

Pubchem Sid

504753497

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753497

정식 스마일

C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O

IUPAC Name

(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid

InChIKey

DSLZVSRJTYRBFB-LLEIAEIESA-N

INCHI

1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1

이성체 SMILES

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

UN 번호

3261

포장 그룹

III

분자량

210.139

Reaxy-Rn

1913240

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1913240&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Sugar acids and derivatives
          • Level6 Glucuronic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Sugar acids and derivatives
• Direct Parent: Glucuronic acid derivatives
• Alternative Parents: Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Hydroxy fatty acids Beta hydroxy acids and derivatives Monosaccharides Dicarboxylic acids and derivatives Alpha hydroxy acids and derivatives Secondary alcohols Polyols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glucuronic acid or derivatives - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Monosaccharide - Hydroxy acid - Dicarboxylic acid or derivatives - Alpha-hydroxy acid - Fatty acyl - Fatty acid - Secondary alcohol - Polyol - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alcohol - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as glucuronic acid derivatives. These are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.
• External Descriptors: Dicarboxylic acids

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

관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

작용 메커니즘

화학 및 물리적 특성

• 끓는점(°C): 269.65℃
• 녹는점(°C): 125-126℃
• 분자량: 210.140 g/mol
• XLogP3: -2.500
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 210.038 Da
• Monoisotopic Mass: 210.038 Da
• Topological Polar Surface Area: 156.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 202.000
• 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