헵타키스-(2,6-디-O-부틸-3-O-아세틸)-베타-시클로덱스트린
[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-38,40,42,44,46,48-hexaacetyloxy-37,39,41,43,45,47,49-heptabutoxy-5,10,15,20,25,30,35-heptakis(butoxymethyl)-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]nonatetracontan-36-yl] acetate
기본 정보
- CAS
138451-90-8- 표준 SMILES
CCCCOC[C@H]1O[C@@H]2O[C@H]3[C@H](OC(C)=O)[C@@H](OCCCC)[C@@H](O[C@H]4[C@H](OC(C)=O)[C@@H](OCCCC)[C@@H](O[C@H]5[C@H](OC(C)=O)[C@@H](OCCCC)[C@@H](O[C@H]6[C@H](OC(C)=O)[C@@H](OCCCC)[C@@H](O[C@H]7[C@H](OC(C)=O)[C@@H](OCCCC)[C@@H](O[C@H]8[C@H](OC(C)=O)[C@@H](OCCCC)[C@@H](O[C@H]1[C@H](OC(C)=O)[C@H]2OCCCC)O[C@@H]8COCCCC)O[C@@H]7COCCCC)O[C@@H]6COCCCC)O[C@@H]5COCCCC)O[C@@H]4COCCCC)O[C@@H]3COCCCC- InChIKey
XGYWBSVNXXAYKZ-RBXLYOGXSA-N- 분자식
- C112H196O42
- 평균 분자량
- 2,214.7 g/mol
- 단동위원소 질량
- 2,213.3201203
이름 및 식별자
- 우선 이름
- [(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-38,40,42,44,46,48-hexaacetyloxy-37,39,41,43,45,47,49-heptabutoxy-5,10,15,20,25,30,35-heptakis(butoxymethyl)-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]nonatetracontan-36-yl] acetate
- IUPAC
- [(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-38,40,42,44,46,48-hexaacetyloxy-37,39,41,43,45,47,49-heptabutoxy-5,10,15,20,25,30,35-heptakis(butoxymethyl)-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]nonatetracontan-36-yl] acetate
- 현지명
- 헵타키스-(2,6-디-O-부틸-3-O-아세틸)-베타-시클로덱스트린
- 영어명
- Heptakis-(2,6-di-O-butyl-3-O-acetyl)-beta-Cyclodextrin
- 분자식
- C112H196O42
- 분자량
- 2214.74
이름 및 동의어
138451-90-8SCHEMBL30387766헵타키스-(2,6-디-O-부틸-3-O-아세틸)-베타-시클로덱스트린Heptakis-(2,6-di-O-butyl-3-O-acetyl)-beta-Cyclodextrin
데이터베이스 식별자
- CAS
138451-90-8- PubChem CID
- 15686651
물성
구조 계산 물성
- XLogP
- 14
- 극성 표면적
- 443 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 42
- 회전 가능 결합 수
- 77
- 무거운 원자 수
- 154
- 형식 전하
- 0
- 복잡도
- 3,080
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