(R)-3-(benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic acid (HCID 2733693)

名称と識別子

優先名称: (R)-3-(benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic acid
IUPAC: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoic acid
現地名: O-ベンジル-N-(tert-ブトキシカルボニル)-D-セリン
英語名: Boc-D-Ser(Bzl)-OH
分子式: C15H21NO5
分子量: 295.33

名称と別名

(R)-3-(benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic acidRefChem:407262827-299-8Boc-D-Ser(Bzl)-OH47173-80-8N-Boc-O-benzyl-D-serineBoc-O-benzyl-D-serineMFCD00038248O-Benzyl-N-(tert-butoxycarbonyl)-D-serine(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoic acidM06201(2R)-3-benzyloxy-2-(tert-butoxycarbonylamino)propanoic acid

名称をさらに表示

O-ベンジル-N-(tert-ブトキシカルボニル)-D-セリンN-BOC-O-ベンジル-D-セリンN‐BOC‐O‐ベンジル‐D‐セリンBOC-(R)-2-アミノ-3-ベンジルオキシプロピオン酸N-T-BOC-O-ベンジル-D-セリン(2R)-2-(tert-ブチルオキシカルボニルアミノ)-3-(ベンジルオキシ)プロパン酸(2R)-3-(ベンジルオキシ)-2-{[(tert-ブトキシ)カルボニル]アミノ}プロパン酸(R)-2-(tert-ブトキシカルボニルアミノ)-3-(ベンジルオキシ)プロピオン酸N-(tert-ブチルオキシカルボニル)-O-ベンジル-D-セリンN-(tert-ブチルオキシカルボニル)-O-ベンジル-D-Ser-OHO-ベンジル-N-(tert-ブチルオキシカルボニル)-D-セリンN-(tert-ブトキシカルボニル)-O-ベンジル-D-セリンO-ベンジル-N-tert-ブトキシカルボニル-D-セリンN-(tert-ブトキシカルボニル)-3-(ベンジルオキシ)-D-アラニン(2R)-2-(tert-ブトキシカルボニルアミノ)-3-(ベンジルオキシ)プロパン酸(R)-3-(ベンジルオキシ)-2-(tert-ブトキシカルボニルアミノ)プロピオン酸BOC-SER(BZL)-OHBOC-SER(BZL)BOC-D-SER(BZL)BOC-L-SER(BZL)-OHBOC-O-BENZYL-L-SERINET-BUTYLOXYCARBONYL-O-BENZYL-L-SERINEN-[(1,1-Dimethylethoxy)carbonyl]-O-(phenylmethyl)-D-serine

D-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-Boc-D-Ser(OBn)-OHo-benzyl-n-boc-d-serineN-(tert-Butyloxycarbonyl)-O-Benzyl-D-SerineSCHEMBL1132901N-a-t.-Boc-O-benzyl-D-serineDMBKPDOAQVGTST-GFCCVEGCSA-N(2R)-3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid

データベース識別子

CAS: 47173-80-8
PubChem CID: 2733693
EC Number: 827-299-8
Nikkaji: J1.204.307D

物性

構造計算による物性

XLogP: 1.9
極性表面積: 84.9 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 8
重原子数: 21
形式電荷: 0
複雑度: 344

物理化学的性質

融点: 58 · 58-60 °C(lit.)
比旋光度: -19 · -19 º (c=2 80% alcohol)
沸点: 437.02 °C · 437.02°C (rough estimate)
比重(密度): 1.1454 · 1.1454 (rough estimate)
屈折率: -20 ° · -20 ° (C=2, 80% EtOH)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: almost transparency in Methanol
酸解離定数(Pka): 3.53 · 3.53±0.10(Predicted)
外見: 粉
色: 白い
BRN: 2665080 · 2665080
主な用途: ペプチド合成
InChI: InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(17)18)10-20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m1/s1
InChIKey: DMBKPDOAQVGTST-GFCCVEGCSA-N
SMILES: C(O)(=O)[C@@H](COCC1=CC=CC=C1)NC(OC(C)(C)C)=O
CAS データベース: 47173 · 47173-80-8(CAS DataBase Reference)

化学的性質

化学的特性White crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 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 4 reports by companies.；There are 3 notifications provided by 3 of 4 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.