基本情報
- CAS
130-40-5- 標準SMILES
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])O)c2cc1C.[Na+]- InChIKey
OHSHFZJLPYLRIP-BMZHGHOISA-M- 分子式
- C17H20N4NaO9P
- 平均分子量
- 478.3 g/mol
- 単同位体質量
- 478.08655951
名称と識別子
- 優先名称
- Riboflavin sodium phosphate
- IUPAC
- sodium [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate
- 現地名
- リボフラビンリン酸エステルナトリウム
- 英語名
- Riboflavin 5'-Monophosphate Sodium Salt
- 分子式
- C17H21N4O9P.Na
- 分子量
- 479.33
名称と別名
名称をさらに表示
データベース識別子
- CAS
130-40-5、22251-85-0- PubChem CID
- 23666409
- DTXSID
DTXSID80889330- ChEBI
CHEBI:32098- UNII
- 957E53WV42
- EC Number
- 204-988-6、244-868-0
物性
構造計算による物性
- 極性表面積
- 204 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 10
- 回転可能結合数
- 7
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 856
実験および物理化学的性質
物理化学的性質
- 融点
- 300 °C · >300°C
- 比旋光度
- 20 · [α]D20 +38~+43° (c=1.5, dil. HCl) (Calculated on dehydrous basis)
- FEMA
- 2976 · 2976 | QUININE HYDROCHLORIDE
- 屈折率
- 41 ° · 41 ° (C=1.5, 5mol/L HCl)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 2 O: · H2O: 可溶50mg/mL、透明、オレンジ
- 外見
- 粉
- 色
- 黄色から濃いオレンジ
- 由来生物
- synthetic
- 水溶解度
- ほとんど透明
- Merck
- 14 · 14,8201
- BRN
- 4106529 · 4106529
- 安定性
- 安定。強力な酸化剤、還元剤、アルカリ、カルシウム、金属塩とは相容れない。光、空気、湿気を避けてください。
- 主な用途
- 医薬品(低分子化合物)
- 化粧品成分の機能
- スキンコンディショニング
- InChIKey
- OHSHFZJLPYLRIP-BMZHGHOISA-M
- SMILES
- [Na+].Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)COP(O)([O-])=O)c2cc1C
- LogP
- -2.193 · -2.193 (est)
- CAS データベース
- 130 · 130-40-5(CAS DataBase Reference)
- EPAの化学物質情報
- 5 · Riboflavin 5'-(dihydrogen phosphate), monosodium salt (130-40-5)
化学的性質
化学的特性Riboflavin 5'-Monophosphate Sodium Salt is a yellow toorange-yellow, crystalline hygroscopic powder. It is odorless, and has a slightly bitter taste. It is soluble in water, and practically insoluble in ethanol(95), in chloroform and in diethyl ether. It is decomposed on exposure to light.
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 97% (65 of 67) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 65 of 67 companies (only 3% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 67 reports by companies from 2 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 65 of 67 reports by companies.;There is 1 notification provided by 2 of 67 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Regulation (EC) No 1831/2003 (amended)
Riboflavin 5-phosphate sodium: Does not have an individual approval but may be used under an appropriate group standard
法規制情報
Regulatory Information
Regulation (EC) No 1831/2003 (amended)
Riboflavin 5-phosphate sodium: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- F
- 3-8-10
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29362300
- risk_code
- 36/38
- hazard_code
- Xi
- safety_code
- 22-24/25-37/39-26
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
応用分野
用途薬理・生理作用研究用。
用途酵素研究用。
使用One of the bioactive forms of Riboflavin. Nutritional factor found in milk, eggs, malted barley, liver, kidney, heart, leafy vegetables. Richest natural source is yeast. Minute amounts present in all plant and animal cells. Vitamin (enzyme cofactor).
一般的な説明Riboflavin 5'-Monophosphate Sodium Salt Hydrate (Vitamin B2 Salt) may serve as both a carbon source and reducing agent for synthesising luminescent carbon dots and carbon-encapsulated metal (Au, Pt, Pd) particles. Simultaneous hydrothermal heating of B2salt and metal salt solutions yields water-soluble carbon dots in the supernatant and carbon-coated metal particles in the precipitate. The resulting carbon dots exhibit dual nitrogen and phosphorus doping, enhancing their luminescent properties, while the metal-loaded carbon particles hold significant potential for catalytic applications.
調製方法
純化方法Purify FMN by paper chromatography using tert-butanol/water, cutting out the main spot and eluting it with water. It can also be purified by adsorption onto an apo-flavodoxin column, followed by elution and freeze drying. It crystallises from aqueous acidic solution. [Mayhew & Strating Eur J Biochem 59 539 1976, Beilstein 26 III/IV 2555.]
上流・下流製品情報
上流原料
サプライヤー100 社
補足説明
定義本品は、リン酸(*)とリボフラビン(*)のエステルのナトリウム塩であり、次の化学式で表される。参照表示名称:リン酸, リボフラビン
関連反応
化合物ノート
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