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

CAS: 478171-80-1 Cat. No.: V472114 Formula: C₁₁D₈O₂ Peso molecolare: 180.23 Numero EC: 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥98 atom% D,≥97%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98 atom% D,≥97%

Nomi e identificatori

Sorrisi canonici

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

Isomeri SMILES

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

CAS alternativo

58-27-5 （unlabeled）

Peso molecolare

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
    • Classe Naphthalenes
      • Subclass Naphthoquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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