기본 정보
- CAS
51166-72-4- 표준 SMILES
COC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](OC)[C@@H](O[C@H]4[C@H](O)[C@@H](OC)[C@@H](O[C@H]5[C@H](O)[C@@H](OC)[C@@H](O[C@H]6[C@H](O)[C@@H](OC)[C@@H](O[C@H]7[C@H](O)[C@@H](OC)[C@@H](O[C@H]1[C@H](O)[C@H]2OC)O[C@@H]7COC)O[C@@H]6COC)O[C@@H]5COC)O[C@@H]4COC)O[C@@H]3COC- InChIKey
GTXJHJOCVPTNTP-MLJFYOOPSA-N- 분자식
- C48H84O30
- 평균 분자량
- 1,141.2 g/mol
- 단동위원소 질량
- 1,140.50474126
이름 및 식별자
- 우선 이름
- Dimethyl-alpha-cyclodextrin
- IUPAC
- (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-32,34,36,38,40,42-hexamethoxy-5,10,15,20,25,30-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,33,35,37,39,41-hexol
- 영어명
- 2,6-Di-O-methyl-alpha-cyclodextrin
- 분자식
- C48H84O30
- 분자량
- 1141.16
이름 및 동의어
Dimethyl-alpha-cyclodextrin51166-72-4(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-32,34,36,38,40,42-hexamethoxy-5,10,15,20,25,30-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,33,35,37,39,41-hexol2A,2B,2C,2D,2E,2F,6A,6B,6C,6D,6E,6F-Dodeca-O-methyl-alpha-cyclodextrinSCHEMBL29411303DTXSID2011656912,6-DI-O-METHYL-ALPHA-CYCLODEXTRIN2A,2B,2C,2D,2E,2F,6A,6B,6C,6D,6E,6F-Dodeca-O-methyl-|A-Cyclodextrin2A,2B,2C,2D,2E,2F,6A,6B,6C,6D,6E,6F-Dodeca-O-methyl-I+/--cyclodextrinalpha-Cyclodextrin, 2A,2B,2C,2D,2E,2F,6A,6B,6C,6D,6E,6F-dodeca-O-methyl-(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-32,34,36,38,40,42-Hexamethoxy-5,10,15,20,25,30-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~]dotetracontane-31,33,35,37,39,41-hexolMethyl a-cyclodextrin
이름 더 보기
Dimethyl-α-cyclodextrinMETHYL ALPHA-CYCLODEXTRIN2,6-Dimethyl-a-cyclodextrin >70%α-Cyclodextrin, 2A,2B,2C,2D,2E,2F,6A,6B,6C,6D,6E,6F-dodeca-O-methyl-
데이터베이스 식별자
- CAS
51166-72-4- PubChem CID
- 154335
- DTXSID
DTXSID201165691- Nikkaji
- J1.209.271G
물성
구조 계산 물성
- XLogP
- -6.4
- 극성 표면적
- 343 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 30
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 78
- 형식 전하
- 0
- 복잡도
- 1,420
물리화학적 성질
- 녹는점
- 301 · 301-307 °C
- 끓는 점
- 1099.2 · 1099.2±65.0 °C(Predicted)
- 밀도
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.68 · 11.68±0.70(Predicted)
화학 및 산업
공급사4 곳
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