基本情報
- CAS
349-46-2- 標準SMILES
N[C@H](CSSC[C@@H](N)C(=O)O)C(=O)O- InChIKey
LEVWYRKDKASIDU-QWWZWVQMSA-N- 分子式
- C6H12N2O4S2
- 平均分子量
- 240.3 g/mol
- 単同位体質量
- 240.02384922
名称と識別子
- 優先名称
- D-Cystine
- IUPAC
- (2S)-2-amino-3-[[(2S)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid
- 現地名
- D-シスチン
- 英語名
- D-Cystine
- 分子式
- C6H12N2O4S2
- 分子量
- 240.3
名称と別名
名称をさらに表示
データベース識別子
- CAS
349-46-2、923-32-0- PubChem CID
- 6857538
- DTXSID
DTXSID301031752- ChEBI
CHEBI:35494- UNII
- 06681CV9GH、KX1RHN0Y0B
- EC Number
- 206-486-2
- Nikkaji
- J9.193F
物性
構造計算による物性
- XLogP
- -6.3
- 極性表面積
- 177 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 8
- 回転可能結合数
- 7
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 192
実験および物理化学的性質
物理化学的性質
- 融点
- 265 °C · 265 °C (dec.) (lit.)
- 比旋光度
- 214 · 214 º (c=1, 1 N HCl)
- 沸点
- 468.2 · 468.2±45.0 °C(Predicted)
- 比重(密度)
- 1.358 · 1.358 (estimate)
- 屈折率
- 1.6 · 1.6000 (estimate)
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
- 溶解性
- 水性酸(わずかに)、水性塩基(わずかに)
- 外見
- 微結晶性粉末
- 酸解離定数(Pka)
- 1.7 · 1.70±0.10(Predicted)
- 色
- 白い
- 水溶解度
- 0.057 g/L · 0.057g/L (25℃)
- Merck
- 14 · 14,2782
- BRN
- 1728093 · 1728093
- 主な用途
- ペプチド合成
- InChI
- 1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m1/s1
- InChIKey
- LEVWYRKDKASIDU-QWWZWVQMSA-N
- SMILES
- N[C@H](CSSC[C@@H](N)C(O)=O)C(O)=O
- LogP
- 1.23 · 1.230 (est)
- CAS データベース
- 349 · 349-46-2(CAS DataBase Reference)
化学的性質
化学的特性White crystals
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.;There is 1 notification provided by 1 of 2 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
法規制情報
安全データ
- wgk
- 3
- hs_code
- 29309013
- risk_code
- 36/37/38-22
- hazard_code
- Xn,Xi
- safety_code
- 22-24/25-37/39-26-36
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
Uses
Amino acid not essential for humans; [Merck Index]
Use (kg; approx.) in Germany (2009): >500;Consumption (g per capita; approx.) in Germany (2009): 0.00611;Calculated removal (%): 75.1
応用分野
説明D-cystine is a thiol-containing non-essential amino acid that is oxidized to form CYSTINE.
使用D-Cystine increases the rate of fertilization of mouse oocytes.
サプライヤー100 社
補足説明
定義ChEBI: The D-enantiomer of cystine.
関連反応
化合物ノート
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