기본 정보
- CAS
510-19-0- 표준 SMILES
CC(C)[C@](O)(C(=O)OC[C@H]1CC[N+]2([O-])CCC[C@@H]12)C(C)O- InChIKey
DLNWZIVYKQXLTN-CGYUPCHJSA-N- 분자식
- C15H27NO5
- 평균 분자량
- 301.38 g/mol
- 단동위원소 질량
- 301.18892296
개요
Trachelanthine has been reported in Trachelanthus korolkowii with data available.
이름 및 식별자
- 우선 이름
- Trachelanthine
- IUPAC
- [(1S,8S)-4-oxido-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
- 영어명
- (1R,7aS)-1-[[[(2S,3R)-2,3-Dihydroxy-2-isopropylbutanoyl]oxy]methyl]hexahydro-1H-pyrrolizine 4-oxide
- 분자식
- C15H27NO5
- 분자량
- 301.38
이름 및 동의어
Trachelanthine510-19-0Trachelanthamine N-oxide[(1S,8S)-4-oxido-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoateButanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, ((1R,7aS)-hexahydro-4-oxido-1H-pyrrolizin-1-yl)methyl ester, (2S,3R)-Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester, N-oxide, (1R-(1-alpha(2S*,3R*),7a-alpha))-((1S,8S)-4-oxido-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl)methyl (2R)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoateRefChem:190543Trachelanthamine oxideorb1217953AKOS040760030(1R,7aS)-1-[[[(2S,3R)-2,3-Dihydroxy-2-isopropylbutanoyl]oxy]methyl]hexahydro-1H-pyrrolizine 4-oxide
이름 더 보기
(1R,7aS)-1-((((2S,3R)-2,3-dihydroxy-2-isopropylbutanoyl)oxy)methyl)octahydropyrrolizine 4-oxideButanoic acid, 2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methyl-, [(1R,7aS)-hexahydro-4-oxido-1H-pyrrolizin-1-yl]methyl ester, (2S)-
TS-10106(1S,7AS)-1-((((2R)-2,3-dihydroxy-2-isopropylbutanoyl)oxy)methyl)hexahydropyrrolizine 4(1H)-oxide
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 84.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 402
물리화학적 성질
- 산도 계수 (pKa)
- 12.58 · 12.58±0.29(Predicted)
화학 및 산업
공급사9 곳
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
成都普瑞法科技开发有限公司+86-28-82633860; +86-18080483897 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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