헵타키스-6-아지도-6-디옥시-베타-사이클로덱스트린,1:1DMF복합물,95
(1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R)-5,10,15,20,25,30,35-heptakis(azidomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
기본 정보
- CAS
53958-47-7- 표준 SMILES
[N-]=[N+]=NCC1O[C@@H]2O[C@@H]3C(CN=[N+]=[N-])O[C@H](O[C@@H]4C(CN=[N+]=[N-])O[C@H](O[C@@H]5C(CN=[N+]=[N-])O[C@@H](O[C@@H]6C(CN=[N+]=[N-])O[C@H](O[C@@H]7C(CN=[N+]=[N-])O[C@H](O[C@@H]8C(CN=[N+]=[N-])O[C@H](O[C@H]1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O- InChIKey
OLPQEMQLAVINTB-PVYQGTNRSA-N- 분자식
- C42H63N21O28
- 평균 분자량
- 1,310.1 g/mol
이름 및 식별자
- 우선 이름
- (1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R)-5,10,15,20,25,30,35-heptakis(azidomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
- IUPAC
- (1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R)-5,10,15,20,25,30,35-heptakis(azidomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
- 현지명
- 헵타키스-6-아지도-6-디옥시-베타-사이클로덱스트린,1:1DMF복합물,95
- 영어명
- Heptakis-6-azido-6-deoxy-beta-cyclodextrin, 1:1 DMF complex, 95
- 분자식
- C42H63N21O28
- 분자량
- 1310.07352
이름 및 동의어
53958-47-7(1S,3R,6S,8S,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R)-5,10,15,20,25,30,35-Heptakis(azidomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol(1S,3R,6S,8R,11S,13S,16S,18R,21S,23R,26S,28R,31S,33R)-5,10,15,20,25,30,35-heptakis(azidomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecolHeptakis-(6-azido-6-deoxy)-beta-cyclodextrin헵타키스-6-아지도-6-디옥시-베타-사이클로덱스트린,1:1DMF복합물,951 DMF COMPLEX, 95Per-6-azide-6-deoxy-beta-cyclodextrinHeptakis-(6-azido-6-deoxy)-β-cyclodextrinHeptakis-(6-azido-6-deoxy)-β-cyclodextrin?NewHEPTAKIS-6-AZIDO-6-DEOXY-BETA-CYCLODEXTRIN, 1Heptakis-6-azido-6-deoxy-beta-cyclodextrin,1:1 DMF complex
물성
구조 계산 물성
- XLogP
- -3.9
- 극성 표면적
- 513 Ų
- 수소 결합 공여자 수
- 14
- 수소 결합 수용자 수
- 42
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 91
- 형식 전하
- 0
- 복잡도
- 2,290
물리화학적 성질
- 녹는점
- 240 °C · 240°C
- 끓는 점
- 944.25 °C · 944.25°C (rough estimate)
- 밀도
- 1.37 · 1.3700 (rough estimate)
- 굴절률
- 1.62 · 1.6200 (estimate)
- 용해도
- DMF, DMSO에 용해됩니다. 물, 메탄올, 클로로포름에 용해되지 않습니다.
- 물리적 상태
- 고체 분말
- 색상
- 회백색
화학적 성질
almost white to slightly yellow crystalline powder
화학 및 산업
응용 분야
용도Heptakis-(6-azido-6-deoxy)-beta-cyclodextrin is an useful reactant for preparation for cyclodextrin amino acid derivatives.
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