(2S,3R)-3-(benzyloxy)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid

HCID 16213170CAS 117872-75-0

기본 정보

표준 SMILES: C[C@@H](OCc1ccccc1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey: UCDMMWCWPVCHLL-OSPHWJPCSA-N
분자식: C26H25NO5
평균 분자량: 431.5 g/mol
단동위원소 질량: 431.1732729

이름 및 식별자

우선 이름: (2S,3R)-3-(benzyloxy)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid
IUPAC: (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylmethoxybutanoic acid
영어명: Fmoc-THr(Bzl)-OH
분자식: C26H25NO5
분자량: 431.48

이름 및 동의어

(2S,3R)-3-(benzyloxy)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid(2S,3R)-3-(benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acidRefChem:398772857-374-0Fmoc-Thr(Bzl)-OH117872-75-0Fmoc-O-benzyl-L-threonineMFCD00077073(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylmethoxybutanoic acid(2S,3R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(benzyloxy)butanoic acidSCHEMBL1737738DTXSID70583799

이름 더 보기

CAS:117872-75-0Fmoc-Thr9Bzl0-OHFMOC-L-THR(BZL)-OHFmoc-DL-Thr(Bzl)-OHFMOC-THR(BZL)-OH 98+%FMOC-THREONINE(BZL)-OHFmoc-THr(Bzl)-OH USP/EP/BPN-FMOC-O-benzyl-L-threonine

M03394N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-O-benzyl-L-threonine(2S,3R)-2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-3-(benzyloxy)butanoic AcidSCHEMBL29908049UCDMMWCWPVCHLL-OSPHWJPCSA-N(2S,3R)-3-benzyloxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acidAKOS015895258AKOS015922859

데이터베이스 식별자

CAS: 117872-75-0
PubChem CID: 16213170
DTXSID: DTXSID70583799
EC Number: 857-374-0

물성

구조 계산 물성

XLogP: 4.5
극성 표면적: 84.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 9
무거운 원자 수: 32
형식 전하: 0
복잡도: 612

물리화학적 성질

끓는 점: 643.7 · 643.7±55.0 °C(Predicted)
밀도: 1.257 · 1.257±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
물리적 상태: 가루
산도 계수 (pKa): 3.39 · 3.39±0.10(Predicted)
색상: 하얀색
BRN: 6353662 · 6353662
주요 응용: 펩타이드 합성
InChIKey: UCDMMWCWPVCHLL-OSPHWJPCSA-N
SMILES: C[C@@H](OCc1ccccc1)[C@H](NC(=O)OCC2c3ccccc3-c4ccccc24)C(O)=O

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)

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