D-ascorbic acid - Moligand™ , CAS No.10504-35-5

CAS: 10504-35-5 Cat. No.: D609743 PubChem CID: 54690394

GRADE & PURITY Moligand™

Synonyms

F91F7DA3-A3D5-4FB4-A6E7-C497C48D192A | A828310 | D-threo-hex-2-enono-1,4-lactone | DTXSID7048112 | D-xyloascorbic acid | SCHEMBL13468284 | D-threo-hex-2-enoic acid gamma-lactone | Proscorbin Redoxon Ribena Ronotec 100 | CHEBI:51384 | Viscorin 100M | (5S)-

Storage

Room temperature

Specifications

Synonyms

F91F7DA3-A3D5-4FB4-A6E7-C497C48D192A | A828310 | D-threo-hex-2-enono-1, 4-lactone | DTXSID7048112 | D-xyloascorbic acid | SCHEMBL13468284 | D-threo-hex-2-enoic acid gamma-lactone | Proscorbin Redoxon Ribena Ronotec 100 | CHEBI:51384 | Viscorin 100M | (5S)-

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Names and Identifiers

• Canonical Smiles: OC[C@H]([C@@H]1OC(=O)C(=C1O)O)O
• IUPAC Name: (5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one
• InChIKey: CIWBSHSKHKDKBQ-MVHIGOERSA-N
• INCHI: 1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m1/s1
• Isomeric SMILES: C([C@H]([C@H]1C(=C(C(=O)O1)O)O)O)O
• PubChem CID: 54690394

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Dihydrofurans
      • Subclass Furanones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Dihydrofurans
• Subclass: Furanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Butenolides
• Alternative Parents: Vinylogous acids Enoate esters Secondary alcohols Lactones Enediols 1,2-diols Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-furanone - Vinylogous acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - 1,2-diol - Carboxylic acid ester - Enediol - Secondary alcohol - Lactone - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Primary alcohol - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom.
• External Descriptors: ascorbic acid

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)

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 176.120 g/mol
• XLogP3: -1.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 176.032 Da
• Monoisotopic Mass: 176.032 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 232.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

References

1. Zijie Qu, Shihan Yu, Miao Li, Yumeng Chen, Xia Liu, Xia Zhang, Guodong Zhang, Xiufeng Wang, Fang Wang, Zhiqing Zhang, Ting Zhou.  (2026)  Synergistic photothermal and bimetallic catalysis for enhanced reduction of 4-nitrophenol using a “core-shell-satellite” structured Fe3O4@PDA@Ag-Au nanocatalyst.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2026.139602]