phenylcarbamothioic acid O-[(3beta)-25-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-[[dimethyl(1,1,2-trimethylpropyl)silyl]oxy]cholesta-5,7,16-trien-23yn-22-yl] ester

HCID 10056138

기본 정보

표준 SMILES
CC(C)C(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)C(=CC=C3[C@@H]2CC[C@]2(C)C([C@H](C)C(C#CC(C)(C)O[Si](C)(C)C(C)(C)C)OC(=S)Nc4ccccc4)=CC[C@@H]32)C1
InChIKey
FLORDTXTZJNLGX-FWAHHYENSA-N
분자식
C48H75NO3SSi2
평균 분자량
802.3 g/mol
단동위원소 질량
801.5006195

이름 및 식별자

우선 이름
phenylcarbamothioic acid O-[(3beta)-25-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-[[dimethyl(1,1,2-trimethylpropyl)silyl]oxy]cholesta-5,7,16-trien-23yn-22-yl] ester
IUPAC
O-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(3S,9S,10R,13S,14S)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-4-yn-3-yl] N-phenylcarbamothioate

이름 및 동의어

SCHEMBL8822678FLORDTXTZJNLGX-FWAHHYENSA-Nphenyl-carbamothioic acid O-[(3beta)-25-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-[[dimethyl(1,1,2-trimethylpropyl)silyl]oxy]cholesta-5,7,16-trien-23-yn-22-yl] esterphenylcarbamothioic acid O-[(3beta)-25-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-[[dimethyl(1,1,2-trimethylpropyl)silyl]oxy]cholesta-5,7,16-trien-23-yn-22-yl] esterphenylcarbamothioic acid O-[(3beta)-25-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-[[dimethyl(1,1,2-trimethylpropyl)silyl]oxy]cholesta-5,7,16-trien-23yn-22-yl] ester

데이터베이스 식별자

PubChem CID
10056138

물성

구조 계산 물성

극성 표면적
71.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
13
무거운 원자 수
55

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