Vitamin K₃-d₈ - ≥98 atom% D,≥97% , CAS No.478171-80-1

CAS: 478171-80-1 Cat. No.: V472114 Summenformel: C₁₁D₈O₂ Molekulargewicht: 180.23 EG-Nummer: 685-693-3

GRADE & PURITY ≥98 atom% D,≥97%

Synonyms

Vitamin K3-d8 | MS-22959 | Vitamin K3-[2H8] (Menadione) | DTXSID90703033 | 2-(Methyl-d3)-1,4-naphthoquinone-3,5,6,7,8-d5 | HY-132389S | D98853 | 2-(?H?)methyl-1,4-dihydro(?H?)naphthalene-1,4-dione | Menadione-d8 | Methyl-1,4-naphthoquinone | Vitamin K3-d8

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Vitamin K3-d8 is a deuterated derivative of Vitamin K3, and Vitamin K3-d8, like Menadione (Vitamin K3), is a synthetic naphthoquinone lacking the isoprenoid side chain and intrinsic biological activity; however, Vitamin K3-d8 can be enzymatically converted into active Vitamin K2 (menaquinone) following in vivo alkylation, supporting research into vitamin K metabolism, biochemical labeling studies, and isotope-tracer investigations in metabolic and nutritional sciences.

Specifications

Synonyme

Vitamin K3-d8 | MS-22959 | Vitamin K3-[2H8] (Menadione) | DTXSID90703033 | 2-(Methyl-d3)-1,4-naphthoquinone-3,5,6,7,8-d5 | HY-132389S | D98853 | 2-(?H?)methyl-1,4-dihydro(?H?)naphthalene-1,4-dione | Menadione-d8 | Methyl-1,4-naphthoquinone | Vitamin K3-d8

Spezifikationen & Reinheit

≥98 atom% D,≥97%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98 atom% D,≥97%

Namen und Kennungen

Kanonisches Lächeln

CC1=CC(=O)C2=CC=CC=C2C1=O

IUPAC Name

2,5,6,7,8-pentadeuterio-3-(trideuteriomethyl)naphthalene-1,4-dione

InChIKey

MJVAVZPDRWSRRC-JGUCLWPXSA-N

INCHI

1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D

Isomere SMILES

[2H]C1=C(C(=C2C(=C1[2H])C(=O)C(=C(C2=O)C([2H])([2H])[2H])[2H])[2H])[2H]

Alternative CAS-Nummer

58-27-5 （unlabeled）

Molekulargewicht

180.23

Reaxy-Rn

1908453

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1908453&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes
      • Subclass Naphthoquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Naphthoquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthoquinones
• Alternative Parents: Quinones Aryl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthoquinone - Aryl ketone - Quinone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone).
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 180.230 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 180.103 Da
• Monoisotopic Mass: 180.103 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 288.000
• Isotope Atom Count: 8
• 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