Boc-Ser-Otbu

HCID 7019054CAS 7738-22-9

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N[C@@H](CO)C(=O)OC(C)(C)C
InChIKey: NSNZHQVMWJPBPI-QMMMGPOBSA-N
분자식: C12H23NO5
평균 분자량: 261.31 g/mol
단동위원소 질량: 261.15762284

이름 및 식별자

우선 이름: Boc-Ser-Otbu
IUPAC: tert-butyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
영어명: Boc-L-serine tert-butyl ester
분자식: C12H23NO5
분자량: 261.32

이름 및 동의어

Boc-Ser-Otbu7738-22-9DTXSID10427062RefChem:330064DTXCID10377896Boc-L-Serine tert-butyl esterN-Boc-L-serine tert-butyl esterMFCD00190832(S)-tert-Butyl 2-((tert-butoxycarbonyl)amino)-3-hydroxypropanoateL-Serine, N-[(1,1-dimethylethoxy)carbonyl]-, 1,1-dimethylethyl estertert-butyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoatetert-butyl (2S)-2-(tert-butoxycarbonylamino)-3-hydroxy-propanoate

이름 더 보기

BOC-SER(TBU)-OHBOC-L-SER(TBU)-OHBOC-SER(BU)-OHBoc-L-Ser-OtBuBOC-SER(BUT)-OHBoc-L-Ser(tBu)-0HBOC-SERINE(TBU)-OHBOC-O-T-BUTYL-L-SERINE

tert-Butyl (tert-butoxycarbonyl)-L-serinateSCHEMBL2531297L-Serine, N-[(1,1-dimethylNSNZHQVMWJPBPI-QMMMGPOBSA-NN-boc-l-serine tertiary butyl estertert-butyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxypropanoateAKOS015998944CS-W022607

데이터베이스 식별자

CAS: 7738-22-9
PubChem CID: 7019054
DTXSID: DTXSID10427062
Nikkaji: J591.119B

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 84.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 7
무거운 원자 수: 18
형식 전하: 0
복잡도: 301

물리화학적 성질

녹는점: 80 ℃ · 80℃
끓는 점: 381.9 · 381.9±32.0 °C(Predicted)
밀도: 1.087 · 1.087±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: Solid
산도 계수 (pKa): 10.7 · 10.70±0.46(Predicted)
색상: White to off-white
InChI: InChI=1S/C12H23NO5/c1-11(2,3)17-9(15)8(7-14)13-10(16)18-12(4,5)6/h8,14H,7H2,1-6H3,(H,13,16)/t8-/m0/s1
InChIKey: NSNZHQVMWJPBPI-QMMMGPOBSA-N
SMILES: C(OC(C)(C)C)(=O)[C@H](CO)NC(OC(C)(C)C)=O