(2S)-2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-4-hydroxybutanoic acid

HCID 15449971

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 172525-85-8
표준 SMILES: O=C(N[C@@H](CCO)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIKey: YFCXLWRCVZSPCF-KRWDZBQOSA-N
분자식: C19H19NO5
평균 분자량: 341.4 g/mol

이름 및 식별자

우선 이름: (2S)-2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-4-hydroxybutanoic acid
IUPAC: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoic acid
영어명: N-Fmoc-L-homoserine
분자식: C19H19NO5
분자량: 341.36

이름 및 동의어

172525-85-8(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-hydroxybutanoic acid(2S)-2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-4-hydroxybutanoic acidRefChem:397947824-960-2N-Fmoc-L-homoserineFmoc-L-Homoserinefmoc-homoserineFmoc-Hse-OHMFCD02682651(((9H-FLUOREN-9-YL)METHOXY)CARBONYL)-L-HOMOSERINE(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoic acid

이름 더 보기

Fmoc?L?Hse?OHFmoc-L-hSer-OHN-(9-Fluorenylmethoxycarbonyl)-L-homoserineNα-(Fluoren-9-ylmethoxycarbonyl)-L-homoserineL-Homoserine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-

(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-hydroxybutanoic acidFmoc--L-homoserineSCHEMBL15681926SCHEMBL29432858SCHEMBL31427164YFCXLWRCVZSPCF-KRWDZBQOSA-N(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxy-butanoic acidAS-89117

데이터베이스 식별자

CAS: 172525-85-8
PubChem CID: 15449971
EC Number: 824-960-2
Nikkaji: J1.246.725G

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 95.9 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 7
무거운 원자 수: 25
형식 전하: 0
복잡도: 460

물리화학적 성질

녹는점: 124 · 124-126 °C(Solv: ethyl acetate (141-78-6); ligroine (8032-32-4))
끓는 점: 627.3 · 627.3±55.0 °C(Predicted)
밀도: 1.329 · 1.329±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): 3.76 · 3.76±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.