5,10,15,22,23,24-hexahydro-21H-biline-1-methanol
기본 정보
- CAS
73023-76-4- 표준 SMILES
OCc1ccc(Cc2ccc(Cc3ccc(Cc4ccc[nH]4)[nH]3)[nH]2)[nH]1- InChIKey
YUPMIXKSCOHVFU-UHFFFAOYSA-N- 분자식
- C20H22N4O
- 평균 분자량
- 334.4 g/mol
- 단동위원소 질량
- 334.17936134
이름 및 식별자
- 우선 이름
- 5,10,15,22,23,24-hexahydro-21H-biline-1-methanol
- IUPAC
- [5-[[5-[[5-(1H-pyrrol-2-ylmethyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]methanol
- 영어명
- 3-[2-[[4-(2-carboxyethyl)-5-[[4-(2-carboxyethyl)-5-[[4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-5-(hydroxymethyl)-1H-pyrrol-3-yl]propanoic acid
- 분자식
- C40H46N4O17
- 분자량
- 0
이름 및 동의어
5,10,15,22,23,24-hexahydro-21H-biline-1-methanolDTXSID701240074Q58389590(5-{[5-({5-[(1H-Pyrrol-2-yl)methyl]-1H-pyrrol-2-yl}methyl)-1H-pyrrol-2-yl]methyl}-1H-pyrrol-2-yl)methanolHydroxymethylbilane3-[2-[[4-(2-carboxyethyl)-5-[[4-(2-carboxyethyl)-5-[[4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-5-(hydroxymethyl)-1H-pyrrol-3-yl]propanoic acid
데이터베이스 식별자
- CAS
73023-76-4- PubChem CID
- 14702985
- DTXSID
DTXSID701240074
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 83.4 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 421
관련 반응
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