(2R)-4β-ヒドロキシピロリジン-2β-カルボン酸

Cis-4-Hydroxy-D-Proline

HCID 440014

基本情報

CAS
2584-71-6
標準SMILES
O=C(O)[C@H]1C[C@@H](O)CN1
InChIKey
PMMYEEVYMWASQN-QWWZWVQMSA-N
分子式
C5H9NO3
平均分子量
131.13 g/mol
単同位体質量
131.05824315

名称と識別子

優先名称
Cis-4-Hydroxy-D-Proline
IUPAC
(2R,4R)-4-hydroxypyrrolidine-2-carboxylic acid
現地名
(2R)-4β-ヒドロキシピロリジン-2β-カルボン酸
英語名
cis-4-Hydroxy-D-proline
分子式
C5H9NO3
分子量
131.13

名称と別名

cis-4-Hydroxy-D-proline2584-71-6(2R,4R)-4-hydroxypyrrolidine-2-carboxylic acid(4R)-4-hydroxy-D-prolineD-PROLINE, 4-HYDROXY-, (4R)-(R)-allo-Hydroxyproline4-Hydroxy-D-alloprolineCHEBI:16231EINECS 219-963-5NSC 524341DTXSID20180494ALLO-4-HYDROXY-D-PROLINE
名称をさらに表示
cis-4-ヒドロキシ-D-プロリン4β-ヒドロキシ-D-プロリン(2R)-4β-ヒドロキシピロリジン-2β-カルボン酸(2R,4R)-4-ヒドロキシピロリジン-2-カルボン酸(4R)-4-ヒドロキシ-D-プロリン(4R)-4β-ヒドロキシ-D-プロリン4β-ヒドロキシ-2β-ピロリジンカルボン酸4β-ヒドロキシピロリジン-2β-カルボン酸CIS‐4‐ヒドロキシ‐D‐プロリン(2R)-4β-ヒドロキシ-D-プロリンD-cis-Hyp-OHProline Impurity 23CIS-D-HYDROXYPROLINED-CIS-HYDROXYPROLINE4β-Hydroxy-D-prolinecis-4-Hydroxy-D-prolD-ALLO-HYDROXYPROLINE
RefChem:577351DTXCID30102985(2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate219-963-5h-d-cis-hyp-ohMFCD00005252CHEMBL1229563(2R,4R)-4-hydroxypyrrolidinium-2-carboxylate

データベース識別子

CAS
2584-71-6
PubChem CID
440014
DTXSID
DTXSID20180494
ChEMBL
CHEMBL1229563
ChEBI
CHEBI:16231
EC Number
219-963-5
Nikkaji
J192.095B

物性

構造計算による物性

XLogP
-3.3
極性表面積
69.6 Ų
水素結合供与体数
3
水素結合受容体数
4
回転可能結合数
1
重原子数
9

実験および物理化学的性質

Collision Cross Section · 3 件

124.3 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)];130.6 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)];128.3 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

122.02 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)];128.4 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

124.6 Ų [M-H]-;130.6 Ų [M+Na]+;128.4 Ų [M+H]+

物理化学的性質

融点
243 °C · 243 °C (dec.)(lit.)
比旋光度
58 · 58 º (c=2, water 24 ºC)
沸点
242.42 °C · 242.42°C (rough estimate)
比重(密度)
1.3121 · 1.3121 (rough estimate)
屈折率
1.43 · 1.4300 (estimate)
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature

化学的性質

化学的特性white powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (60%): 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 5 reports by companies from 5 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 5 reports by companies.;There are 4 notifications provided by 4 of 5 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 InformationD-Proline, 4-hydroxy-, (4R)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (20%);Skin Irrit. 2 (60%);Eye Irrit. 2A (60%);STOT SE 3 (60%)

法規制情報

Regulatory InformationD-Proline, 4-hydroxy-, (4R)-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F
10
wgk
3
hs_code
29339900
risk_code
36/37/38
hazard_code
Xi
safety_code
24/25-22-36/37/39-27-26

化学と産業

応用分野

使用cis-4-Hydroxy-D-proline (cas# 2584-71-6) is a compound useful in organic synthesis.

サプライヤー100 社

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

補足説明

定義ChEBI: D-proline in which a hydrogen at the 4-position of the pyrrolidine ring is substituted by a hydroxy group (R-configuration).

関連反応

28 件

化合物ノート

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