기본 정보
- 표준 SMILES
CCc1c(Cc2[nH]c(C=O)c(C)c2CCCO)[nH]c(Cc2[nH]c(C=O)c(C)c2CCCO)c1CC- InChIKey
OOOQNKMJLOLMHC-UHFFFAOYSA-N- 분자식
- C28H39N3O4
- 평균 분자량
- 481.6 g/mol
- 단동위원소 질량
- 481.29405673
이름 및 식별자
- 우선 이름
- Porphyrin precursor
- IUPAC
- 5-[[3,4-diethyl-5-[[5-formyl-3-(3-hydroxypropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2-carbaldehyde
이름 및 동의어
Porphyrin precursor149365-62-8TPY-56285-[[3,4-diethyl-5-[[5-formyl-3-(3-hydroxypropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2-carbaldehyde5,5'-((3,4-diethyl-1H-pyrrole-2,5-diyl)bis(methylene))bis(4-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2-carbaldehyde)OOOQNKMJLOLMHC-UHFFFAOYSA-N5,5'-[(3,4-Diethyl-1H-pyrrole-2,5-diyl)bis(methylene)]bis[4-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2-carbaldehyde]AGN-PC-004ZVASCHEMBL4107546DTXSID00459675DA-77006HY-117544
이름 더 보기
CS-00664202,5-Bis[(5-formyl-3-hydroxypropyl-4-methylpyrrol-2-yl) methyl]-3,4-diethylpyrrole2,5-Bis[(5-formyl-3-hydroxypropyl-4-methylpyrrol-2-yl)methyl]-3,4-diethylpyrrole1H-Pyrrole-2-carboxaldehyde, 5,5'-[(3,4-diethyl-1H-pyrrole-2,5-diyl)bis(methylene)]bis[4-(3-hydroxypropyl)-3-methyl-
데이터베이스 식별자
- CAS
149365-62-8- PubChem CID
- 11237009
- DTXSID
DTXSID00459675- Nikkaji
- J766.639J
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 122 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 610
관련 반응
5건
연결된 노트
불러오는 중…