Vitamin K1 - ≥98%, sum of Cis-trans , CAS No.84-80-0

CAS: 84-80-0 Cat. No.: V104147 分子式: C₃₁H₄₆O₂ 分子量: 450.70 Beilstein Registry Number: 2568820 EC番号: 201-564-2

GRADE & PURITY ≥98%, sum of Cis-trans

Synonyms

[r-[r*,R*-(E)]]-2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-napthalenedione | Orakay | vitamin K1, 11 | 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, (R-(R*,R*-(E)))- | BIDD:GT0793 | DTXCID003472 | MFCD00214063 | SCHEMB

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

概要

Vitamin K1, also known as phylloquinone, consists of naphthalenoid and phytyl groups. Phylloquinone is present abundantly in photosynthetic plants and is a major dietary source. It is a fat-soluble vitamin.

Specifications

同義語

[r-[r*,R*-(E)]]-2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-napthalenedione | Orakay | vitamin K1, 11 | 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, (R-(R*,R*-(E)))- | BIDD:GT0793 | DTXCID003472 | MFCD00214063 | SCHEMB

仕様と純度

≥98%, sum of Cis-trans

生化学的・生理学的メカニズム

Vitamin K1 plays a role as a cofactor in the synthesis of γ- carboxy glutamate (Gla), formation of coagulation factors II (prothrombin), VII, IX and X.

保管条件

Store at 2-8°C,Protected from light,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

488195294

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488195294

カノニカル・スマイル

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

IUPAC Name

2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione

InChIKey

MBWXNTAXLNYFJB-NKFFZRIASA-N

INCHI

1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1

異性体SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C

WGKドイツ

2

RTECS

QJ5800000

代替CAS番号

12001-79-5

分子量

450.70

Beilstein

2568820

Reaxy-Rn

2568816

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Prenol lipids
      • Subclass Quinone and hydroquinone lipids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Quinone and hydroquinone lipids
• Intermediate Tree Nodes: Not available
• Direct Parent: Vitamin K compounds
• Alternative Parents: Diterpenoids Naphthoquinones Quinones Aryl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Diterpenoid - Naphthoquinone - Naphthalene - Aryl ketone - Quinone - Benzenoid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as vitamin k compounds. These are quinone lipids containing a methylated naphthoquinone ring structure, and vary in the aliphatic side chain attached at the 3-position.
• External Descriptors: Vitamin K

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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Miscible with dehydrated alcohol, acetone, petroleum ether, hexane, dioxane, chloroform, ether, benzene and vegetable oils. Immiscible with water.
• 感度: Light sensitive.Heat and Moisture Sensitive
• 屈折率: 1.5263
• 引火点（°F）: >235.4 °F
• 引火点（°C）: >109.9 °C
• 沸点（°C）: 140-145 °C/0.0013 hPa
• 融点（°C）: -20 °C
• 分子量: 450.700 g/mol
• XLogP3: 10.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 450.35 Da
• Monoisotopic Mass: 450.35 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 696.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1