기본 정보
- CAS
144363-91-7- 표준 SMILES
CC(C)CC1NC(=O)C(Cc2cn(CC3OC4OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC9C(CO)OC(OC%10C(CO)OC(OC3C(O)C4O)C(O)C%10O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)cn2)NC1=O.CC(C)CC1NC(=O)C(Cc2cn(CC3OC4OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC9C(CO)OC(OC%10C(CO)OC(OC3C(O)C4O)C(O)C%10O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)cn2)NC1=O.CC(C)CC1NC(=O)C(Cc2cn(CC3OC4OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC9C(CO)OC(OC%10C(CO)OC(OC3C(O)C4O)C(O)C%10O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)cn2)NC1=O.CC(C)CC1NC(=O)C(Cc2cn(CC3OC4OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC9C(CO)OC(OC%10C(CO)OC(OC3C(O)C4O)C(O)C%10O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)cn2)NC1=O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O- InChIKey
AJXATXIKBJGTTG-UHFFFAOYSA-N- 분자식
- C216H402N16O173
- 평균 분자량
- 5,992 g/mol
- 단동위원소 질량
- 5,988.315076
개요
structure given in first source; RN given refers to the hydrate cpd
이름 및 식별자
- 우선 이름
- 6-Deoxy-6-cyclo(histidyl-leucyl)cyclodextrin
- IUPAC
- tetrakis(3-(2-methylpropyl)-6-[[1-[[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(hydroxymethyl)-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-5-yl]methyl]imidazol-4-yl]methyl]piperazine-2,5-dione);nonacosahydrate
- 현지명
- 6-데옥시-6-사이클로(히스티딜-류실)사이클로덱스트린
- 영어명
- 6-deoxy-6-cyclo(histidyl-leucyl)cyclodextrin
- 분자식
- C216H402N16O173
- 분자량
- 5991.50648
이름 및 동의어
144363-91-76-Deoxy-6-cyclo(histidyl-leucyl)cyclodextrinRefChem:104511Chl-betacd6-Deoxy-6-cyclo(L-his-L-leu)-beta-cyclodextrin, hydrate (4:29)beta-Cyclodextrin, 6A-deoxy-6A-(4-((hexahydro-5-(2-methylpropyl)-3,6-dioxo-2-pyrimidinyl)methyl)-1H-imidazol-1-yl)-, hydrate (4:29)3-(2-methylpropyl)-6-[[1-[[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(hydroxymethyl)-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-5-yl]methyl]imidazol-4-yl]methyl]piperazine-2,5-dione;nonacosahydrate6-데옥시-6-사이클로(히스티딜-류실)사이클로덱스트린
데이터베이스 식별자
- CAS
144363-91-7- PubChem CID
- 3083394
물성
구조 계산 물성
- 극성 표면적
- 2,470 Ų
- 수소 결합 공여자 수
- 117
- 수소 결합 수용자 수
- 177
- 회전 가능 결합 수
- 48
- 무거운 원자 수
- 405
- 형식 전하
- 0
- 복잡도
- 2,440
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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