Glucofuranose, 1:2,5:6-di-O-isopropylidene-3-O-(2-(dimethylamino)ethyl)-, alpha-D-
기본 정보
- CAS
67441-19-4- 표준 SMILES
CN(C)CCO[C@@H]1C2OC(C)(C)OC2O[C@@H]1[C@H]1COC(C)(C)O1- InChIKey
XDRXOQSVOLHAPG-RKQHYHRCSA-N- 분자식
- C16H29NO6
- 평균 분자량
- 331.4 g/mol
- 단동위원소 질량
- 331.19948764
이름 및 식별자
- 우선 이름
- Glucofuranose, 1:2,5:6-di-O-isopropylidene-3-O-(2-(dimethylamino)ethyl)-, alpha-D-
- IUPAC
- 2-[[(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-N,N-dimethylethanamine
- 영어명
- 2-[[(3R,4S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-4-yl]oxy]-N,N-dimethyl-ethanamine
- 분자식
- C16H29NO6
- 분자량
- 331.41
이름 및 동의어
Glucofuranose, 1:2,5:6-di-O-isopropylidene-3-O-(2-(dimethylamino)ethyl)-, alpha-D-67441-19-4RefChem:1085839BRN 16493301:2,5:6-Di-O-isopropylidene-3-O-(2-(dimethylamino)ethyl)-alpha-D-glucofuranose2-[[(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-N,N-dimethylethanamine2-(((5R,6S)-5-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl)oxy)-N,N-dimethylethan-1-amine3-O-[2-(Dimethylamino)ethyl]-1,2:5, 6-bis-O-(1-methylethylidene)-a-D-glucofuranoseα-D-Glucofuranose, 3-O-[2-(dimethylamino)ethyl]-1,2:5,6-bis-O-(1-methylethylidene)-3-O-[2-(Dimethylamino)ethyl]-1,2:5,6-bis-O-(1-methylethylidene)-alpha-D-glucofuranose2-[[(3R,4S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-4-yl]oxy]-N,N-dimethyl-ethanamine
데이터베이스 식별자
- CAS
67441-19-4- PubChem CID
- 3051360
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 58.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 427
물리화학적 성질
- 끓는 점
- 386.565 · 386.565±42.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.17 · 1.170±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 8.718 · 8.718±0.28(predicted)
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