D-Gluconic acid solution - 10mM in DMSO , CAS No.526-95-4

CAS: 526-95-4 Cat. No.: D424524 Formula: C₆H₁₂O₇ Molecular Weight: 196.16 Beilstein Registry Number: 1726055 EC Number: 208-401-4

GRADE & PURITY 10mM in DMSO

Synonyms

GCO | GLUCONIC ACID [INCI] | D-gluconic acid | GLUCONIC ACID (MART.) | sodium-gluconate | E574 | E-574 | Pesticide Code: 000104 | DB13180 | D-Glukonsaeure | Pentahydroxycaproate | CHEBI:33198 | GLUCONIC ACID [VANDF] | NCGC00260293-01 | 2,3,4,5,6-pentahydr

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

A chemical used in glycolytic pathway studies.

Specifications

Synonyms

GCO | GLUCONIC ACID [INCI] | D-gluconic acid | GLUCONIC ACID (MART.) | sodium-gluconate | E574 | E-574 | Pesticide Code: 000104 | DB13180 | D-Glukonsaeure | Pentahydroxycaproate | CHEBI:33198 | GLUCONIC ACID [VANDF] | NCGC00260293-01 | 2,3,4,5,6-pentahydr

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Names and Identifiers

Pubchem Sid

528764060

Canonical Smiles

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

IUPAC Name

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid

InChIKey

RGHNJXZEOKUKBD-SQOUGZDYSA-N

INCHI

1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1

Isomeric SMILES

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

RTECS

LZ5057100

UN Number

3265

Molecular Weight

196.16

Beilstein

1726055

Reaxy-Rn

1910648

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1910648&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Sugar acids and derivatives
• Alternative Parents: Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Hydroxy fatty acids Beta hydroxy acids and derivatives Monosaccharides Alpha hydroxy acids and derivatives Secondary alcohols Polyols Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Gluconic_acid - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Alpha-hydroxy acid - Fatty acyl - Fatty acid - Hydroxy acid - Monosaccharide - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Polyol - Monocarboxylic acid or derivatives - Alcohol - Carbonyl group - Primary alcohol - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
• External Descriptors: Uronic 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

Associated Targets(Human)

F2 Tclin Thrombin (11687 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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HRH3 Tclin Histamine H3 receptor (10389 Activities)

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KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

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Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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SARS-CoV-2 (38078 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.4161
• Boil Point(°C): 102°C
• Melt Point(°C): 15°C
• Molecular Weight: 196.160 g/mol
• XLogP3: -3.400
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 196.058 Da
• Monoisotopic Mass: 196.058 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 170.000
• 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