기본 정보
- CAS
87340-27-0- 표준 SMILES
C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)/C(=C\C)CO)[C@H]12- InChIKey
GOENJWUGVSLZDQ-NCLHDQKXSA-N- 분자식
- C18H25NO5
- 평균 분자량
- 335.4 g/mol
- 단동위원소 질량
- 335.1732729
개요
Triangularine is a member of pyrrolizines and a but-2-enoate ester.
이름 및 식별자
- 우선 이름
- Triangularine
- IUPAC
- [(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate
- 현지명
- 삼각형
- 영어명
- Triangularine
- 분자식
- C18H25NO5
- 분자량
- 335.39
이름 및 동의어
Triangularine87340-27-06-Angelyl-9-sarracinylretronecineY6S2FAL66K[(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate[(1R,7aR)-1-{[(2Z)-2-methylbut-2-enoyl]oxy}-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2Z)-2-(hydroxymethyl)but-2-enoate2-Butenoic acid, 2-(hydroxymethyl)-, [(1R,7aR)-2,3,5,7a-tetrahydro-1-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-1H-pyrrolizin-7-yl]methyl ester, (2Z)-UNII-Y6S2FAL66K2-BUTENOIC ACID, 2-(HYDROXYMETHYL)-, ((1R,7AR)-2,3,5,7A-TETRAHYDRO-1-(((2Z)-2-METHYL-1-OXO-2-BUTEN-1-YL)OXY)-1H-PYRROLIZIN-7-YL)METHYL ESTER, (2Z)-CHEBI:9672orb2279517SCHEMBL24102745
이름 더 보기
삼각형
DTXSID6010201762-BUTENOIC ACID, 2-(HYDROXYMETHYL)-, (2,3,5,7A-TETRAHYDRO-1-((2-METHYL-1-OXO-2-BUTENYL)OXY)-1H-PYRROLIZIN-7-YL)METHYL ESTER, (1R-(1.ALPHA.(Z),7(Z),7A.BETA.))-AKOS0407341842-Butenoic acid, 2-(hydroxymethyl)-, ((1R,7aR)-2,3,5,7a-tetrahydro-1-(((2Z)-2-methyl-1-oxo-2-butenyl)oxy)-1H-pyrrolizin-7-yl)methyl ester, (2Z)-T124037Q271084637-((Z)-2-METHYLBUT-2-ENOYL)-9-((Z)-2-HYDROXYMETHYLBUT-2-ENOYL)RETRONECINE
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 76.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 590
물리화학적 성질
- 끓는 점
- 463.7 · 463.7±45.0 °C(Predicted)
- 밀도
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.58 · 13.58±0.10(Predicted)
화학 및 산업
공급사5 곳
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
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