(R)-6-[2-(Beta-D-GLUCOPYRANOSYLOXY)ETHYL]-2,3-DIHYDRO-3-HYDROXY-5-HYDROXYMETHYL-2,2,7-TRIMETHYL-1H-INDEN-1-ONE
기본 정보
- CAS
62043-49-6- 표준 SMILES
Cc1c(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(CO)cc2c1C(=O)C(C)(C)[C@@H]2O- InChIKey
IMYNNTKISSBDTC-ORRCJIOJSA-N- 분자식
- C21H30O9
- 평균 분자량
- 426.5 g/mol
이름 및 식별자
- 우선 이름
- (R)-6-[2-(Beta-D-GLUCOPYRANOSYLOXY)ETHYL]-2,3-DIHYDRO-3-HYDROXY-5-HYDROXYMETHYL-2,2,7-TRIMETHYL-1H-INDEN-1-ONE
- IUPAC
- (3R)-3-hydroxy-5-(hydroxymethyl)-2,2,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one
- 영어명
- (R)-6-[2-(β-D-Glucopyranosyloxy)ethyl]-2,3-dihydro-3-hydroxy-5-hydroxymethyl-2,2,7-trimethyl-1H-inden-1-one
- 분자식
- C21H30O9
- 분자량
- 426.46
이름 및 동의어
(R)-6-[2-(Beta-D-GLUCOPYRANOSYLOXY)ETHYL]-2,3-DIHYDRO-3-HYDROXY-5-HYDROXYMETHYL-2,2,7-TRIMETHYL-1H-INDEN-1-ONEDB-36234762043-49-6Pteroside X(R)-6-[2-(β-D-Glucopyranosyloxy)ethyl]-2,3-dihydro-3-hydroxy-5-hydroxymethyl-2,2,7-trimethyl-1H-inden-1-one1H-Inden-1-one, 6-[2-(β-D-glucopyranosyloxy)ethyl]-2,3-dihydro-3-hydroxy-5-(hydroxymethyl)-2,2,7-trimethyl-, (3R)-
데이터베이스 식별자
- CAS
62043-49-6- Nikkaji
- J19.633I
물성
구조 계산 물성
- XLogP
- -1.1
- 극성 표면적
- 157 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 611
물리화학적 성질
- 끓는 점
- 698.21 · 698.210±55.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.454 · 1.454±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 12.923 · 12.923±0.70(predicted)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…