기본 정보
- CAS
35910-17-9- 표준 SMILES
Cc1cc2c(c(C)c1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)[C@H](C)[C@H]2O- InChIKey
VKDMMOFAMUXTQZ-AKMQMZFLSA-N- 분자식
- C20H28O8
- 평균 분자량
- 396.4 g/mol
- 단동위원소 질량
- 396.17841785
이름 및 식별자
- 우선 이름
- Pteroside C
- IUPAC
- (2R,3R)-3-hydroxy-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one
- 현지명
- 프테로신크
- 영어명
- PTEROSINC
- 분자식
- C20H28O8
- 분자량
- 396.43
이름 및 동의어
Pteroside C35910-17-9(2R-trans)-6-(2-(beta-D-Glucopyranosyloxy)ethyl)-2,3-dihydro-2-(hydroxymethyl)-2,5,7-trimethyl-1H-inden-1-one1H-Inden-1-one, 6-(2-(beta-D-glucopyranosyloxy)ethyl)-2,3-dihydro-2-(hydroxymethyl)-2,5,7-trimethyl-, (2R-trans)-6-(2-(beta-D-glucopyranosyloxy)ethyl)-2,3-dihydro-2-(hydroxymethyl)-2,5,7-trimethyl-1H-inden-1-one (2R-trans)-(2R,3R)-3-hydroxy-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one(2R,3R)-3-hydroxy-2,5,7-trimethyl-6-(2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyethyl)-2,3-dihydroinden-1-oneRefChem:177125CHEMBL5278532SCHEMBL29717668DTXSID70957330BDBM50610538
이름 더 보기
프테로신크PTEROSINC(2R,3R)-6-[2-(β-D-Glucopyranosyloxy)ethyl]-3-hydroxy-2,5,7-trimetyl-1-indanone(2R,3R)-6-[2-(β-D-Glucopyranosyloxy)ethyl]-3-hydroxy-2,5,7-trimethyl-1-indanone(2R)-6-[2-(β-D-Glucopyranosyloxy)ethyl]-2,3-dihydro-3β-hydroxy-2α,5,7-trimethyl-1H-inden-1-one
2-(1-Hydroxy-2,4,6-trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl)ethyl hexopyranoside2-[(1R,2R)-1-Hydroxy-2,4,6-trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethyl beta-D-glucopyranoside
물성
구조 계산 물성
- XLogP
- -0.2
- 극성 표면적
- 137 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 556
물리화학적 성질
- 끓는 점
- 662.685 · 662.685±55.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.416 · 1.416±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 12.926 · 12.926±0.70(predicted)
화학 및 산업
공급사1 곳
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
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