기본 정보
- CAS
120825-96-9- 표준 SMILES
O=S(=O)(O)OCC1OC2OC3C(COS(=O)(=O)O)OC(OC4C(COS(=O)(=O)O)OC(OC5C(COS(=O)(=O)O)OC(OC6C(COS(=O)(=O)O)OC(OC7C(COS(=O)(=O)O)OC(OC8C(COS(=O)(=O)O)OC(OC9C(COS(=O)(=O)O)OC(OC1C(OS(=O)(=O)O)C2OS(=O)(=O)O)C(OS(=O)(=O)O)C9OS(=O)(=O)O)C(OS(=O)(=O)O)C8OS(=O)(=O)O)C(OS(=O)(=O)O)C7OS(=O)(=O)O)C(OS(=O)(=O)O)C6OS(=O)(=O)O)C(OS(=O)(=O)O)C5OS(=O)(=O)O)C(OS(=O)(=O)O)C4OS(=O)(=O)O)C(OS(=O)(=O)O)C3OS(=O)(=O)O- InChIKey
VHPVZEYUFNJLJZ-UHFFFAOYSA-N- 분자식
- C48H80O112S24
- 평균 분자량
- 3,219 g/mol
- 단동위원소 질량
- 3,215.3861481
이름 및 식별자
- 우선 이름
- gamma-Cyclodextrin sulfate
- IUPAC
- [41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecasulfooxy-10,15,20,25,30,35,40-heptakis(sulfooxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-5-yl]methyl hydrogen sulfate
- 영어명
- Aids003015
- 분자식
- C48H80O112S24
- 분자량
- 3218.6416
이름 및 동의어
gamma-Cyclodextrin sulfate126881-41-2G-CDSgamma-CDS[41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecasulfooxy-10,15,20,25,30,35,40-heptakis(sulfooxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-5-yl]methyl hydrogen sulfate120825-96-9gamma-Cyclodextrin, hydrogen sulfate[hexadecasulfooxy-heptakis(sulfooxymethyl)[?]yl]methyl hydrogen sulfategamma-C8(D)-16(SO2OH).gamma.-CDSgamma-Cyclooctadextrin hexadecasulfate.gamma.-Cyclodextrin sulfate
이름 더 보기
Aids003015Aids-003015PubChem ID: 453205
gamma-Cyclodextrin, hexadecakis(hydrogen sulfate)SCHEMBL29351784.g.-C8(D)-16(SO2OH).gamma.-Cyclodextrin, hydrogen sulfate.gamma.- Cyclooctadextrin hexadecasulfate.gamma.-Cyclodextrin, hexadecakis(hydrogen sulfate)2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-Hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane, .gAMMA.-cyclodextrin deriv.2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-Hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane, g-cyclodextrin deriv.
물성
구조 계산 물성
- XLogP
- -26.4
- 극성 표면적
- 1,880 Ų
- 수소 결합 공여자 수
- 24
- 수소 결합 수용자 수
- 112
- 회전 가능 결합 수
- 56
- 무거운 원자 수
- 184
- 형식 전하
- 0
- 복잡도
- 7,450
화학 및 산업
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