Sodium ascorbate - analytical standard , CAS No.134-03-2

CAS: 134-03-2 Cat. No.: S105025 분자식: C₆H₇NaO₆ 분자량: 198.11 Beilstein Registry Number: 3767246 EC 번호: 205-126-1 PubChem CID: 23667548

등급 & 순도 Analytical standard

Synonyms

L-Ascorbic acid, monosodium salt | sodium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate | Vitamin C Sodium Salt | (+)-Sodium L-ascorbate | SODIUM ASCORBATE | 2,3-Didehydro-L-theo-hexono-1,4-lactone sodium enolate | SODIUM ASCORBATE (US

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

사양

동의어

L-Ascorbic acid, monosodium salt | sodium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate | Vitamin C Sodium Salt | (+)-Sodium L-ascorbate | SODIUM ASCORBATE | 2,3-Didehydro-L-theo-hexono-1,4-lactone sodium enolate | SODIUM ASCORBATE (US

사양 및 순도

analytical standard

생화학 및 생리적 메커니즘

Has growth inhibiting action in cultured human neoplastic cell lines at high concentrations. Combined with vitamin K3, demonstrates a synergistic inhibition of cell growth at 10 to 50 times lower concentrations which is completely suppressed by the additi

보관 조건

Protected from light,Room temperature,Argon charged

배송

Normal

등급

분석 표준물질

참고

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

이름과 식별자

Pubchem Sid

508813565

정식 스마일

[Na+].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-]

IUPAC Name

sodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate

InChIKey

PPASLZSBLFJQEF-RXSVEWSESA-M

INCHI

1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1/t2-,5+;/m0./s1

이성체 SMILES

C([C@@H]([C@@H]1C(=C(C(=O)O1)O)[O-])O)O.[Na+]

WGK 독일

1

RTECS

CI7671000

PubChem CID

23667548

분자량

198.11

Beilstein

3767246

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Dihydrofurans
• Subclass: Furanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Butenolides
• Alternative Parents: Vinylogous acids Enoate esters Secondary alcohols Lactones 1,2-diols Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-furanone - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous acid - 1,2-diol - Carboxylic acid ester - Lactone - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organic alkali metal salt - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organic oxygen compound - Primary alcohol - Organooxygen compound - Alcohol - Carbonyl group - Organic salt - Organic sodium salt - Aliphatic heteromonocyclic compound
• 설명: 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: Not available

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(인간)

FFAR3 Tchem Free fatty acid receptor 3 (304 Activities)

Discover Target: FFAR3

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

CRYAB Tchem Alpha-crystallin B chain (132 Activities)

Discover Target: CRYAB

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

관련 대상(비인간)

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

• 감도: Light &Moisture sensitive
• 특정 회전[α]: 105.5 ° (C=10, H2O)
• 녹는점(°C): 219-221°C
• 분자량: 198.110 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 198.014 Da
• Monoisotopic Mass: 198.014 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 237.000
• 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: 2

XLogP3