(S)-N-카르보벤질옥시-4-아미노-2-히드록시부티르산

(S)-2-Hydroxy-4-(((phenylmethoxy)carbonyl)amino)butyric acid

HCID 2733930CAS 40371-50-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(NCC[C@H](O)C(=O)O)OCc1ccccc1
InChIKey: ULKOBRDRCYROKY-JTQLQIEISA-N
분자식: C12H15NO5
평균 분자량: 253.25 g/mol
단동위원소 질량: 253.09502258

이름 및 식별자

우선 이름: (S)-2-Hydroxy-4-(((phenylmethoxy)carbonyl)amino)butyric acid
IUPAC: (2S)-2-hydroxy-4-(phenylmethoxycarbonylamino)butanoic acid
현지명: (S)-N-카르보벤질옥시-4-아미노-2-히드록시부티르산
영어명: (S)-N-Carbobenzyloxy-4-amino-2-hydroxybutyric acid
분자식: C12H15NO5
분자량: 253.25

이름 및 동의어

EINECS 254-892-3(S)-2-Hydroxy-4-(((phenylmethoxy)carbonyl)amino)butyric acid(S)-2-Hydroxy-4-[[(phenylmethoxy)carbonyl]amino]butyric acid(2S)-2-Hydroxy-4-[[(phenylmethoxy)carbonyl]amino]butanoic acid(2S)-2-Hydroxy-4-(((phenylmethoxy)carbonyl)amino)butanoic acidRefChem:407939254-892-340371-50-4(S)-N-CBZ-4-amino-2-hydroxybutyric acid(S)-N-Carbobenzyloxy-4-amino-2-hydroxybutyric acidMFCD00209957(S)-(+)-N-Carboxybenzoyl-4-Amino-2-hydroxybutyric Acid

이름 더 보기

(S)-N-카르보벤질옥시-4-아미노-2-히드록시부티르산(S)-CBZ-HABAZ-(S)-HABA-OHCBZ-S-(+)-L-HABAAmikacin Intermediate Cbz-L-Haba(S)-(-)-Z-2-Hydroxy-4-aminobutyric acidL-(-)-A-HYDROXY-G-CBZ-AMINOBUTYRIC ACID

(S)-4-(((benzyloxy)carbonyl)amino)-2-hydroxybutanoic acid(2S)-2-hydroxy-4-(phenylmethoxycarbonylamino)butanoic acid(2S)-4-{[(benzyloxy)carbonyl]amino}-2-hydroxybutanoic acidCbz-HABA(S)-4-(Cbz-amino)-2-hydroxybutanoic Acid(s)-4-benzyloxycarbonylamino-2-hydroxybutyric acid(S)-(+)-Z-4-Amino-2-hydroxybutyric acid(2S)-2-hydroxy-4-[(phenylmethoxy)carbonylamino]butanoic acid

데이터베이스 식별자

CAS: 40371-50-4
PubChem CID: 2733930
DTXSID: DTXSID401177349
ChEMBL: CHEMBL459549
EC Number: 254-892-3
Nikkaji: J24.916E

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 95.9 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 7
무거운 원자 수: 18
형식 전하: 0
복잡도: 276

물리화학적 성질

녹는점: 75 · 75-78 °C(lit.)
끓는 점: 396.45 °C · 396.45°C (rough estimate)
밀도: 1.2499 · 1.2499 (rough estimate)
굴절률: 1.52 · 1.5200 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 3.73 · 3.73±0.10(Predicted)
색상: 하얀색
InChI: InChI=1S/C12H15NO5/c14-10(11(15)16)6-7-13-12(17)18-8-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H,13,17)(H,15,16)/t10-/m0/s1
InChIKey: ULKOBRDRCYROKY-JTQLQIEISA-N
SMILES: C(O)(=O)[C@@H](O)CCNC(OCC1=CC=CC=C1)=O

화학적 성질

off-white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29242990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

화학 및 산업

상·하류 제품 정보

상류 원료

2-HYDROXY-4-BENZYLOXYCARBONYLAMINE부탄산 Butanoic acid, 2-oxo-4-[[(phenylmethoxy)carbonyl]amino]-, methyl ester 벤질 클로로탄소산

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

湖北宥澄新材料科技有限公司17764017698 13163370568 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

연결된 노트

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