기본 정보
- CAS
104060-12-0- 표준 SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCc2ccc(OCC(O)CO)cc2)C1c1cccc([N+](=O)[O-])c1- InChIKey
QLNAYPDWIWUVHP-UHFFFAOYSA-N- 분자식
- C27H30N2O9
- 평균 분자량
- 526.5 g/mol
- 단동위원소 질량
- 526.19513054
이름 및 식별자
- 우선 이름
- RS-93522
- IUPAC
- 5-O-[2-[4-(2,3-dihydroxypropoxy)phenyl]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- 영어명
- 2-[4-(2,3-dihydroxypropoxy)phenyl]ethyl methyl 2,6-dimethyl-4-(3-nitro phenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- 분자식
- C27H30N2O9
- 분자량
- 0
이름 및 동의어
RS-93522RS 93522QKX40Y8NJNRefChem:180085104060-12-05-O-[2-[4-(2,3-dihydroxypropoxy)phenyl]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateRS-93522-0042-(4-(2,3-Dihydroxypropoxy)phenyl)ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-[2-[4-(2,3-dihydroxypropoxy)phenyl]ethyl] 5-methyl ester;3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-[2-[4-(2,3-dihydroxypropoxy)phenyl]ethyl] 5-methyl esterQLNAYPDWIWUVHP-UHFFFAOYSA-NRS 93522-004orb1699450
이름 더 보기
2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-[2-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]5-methyl ester
SCHEMBL7272369DTXSID60908775AKOS0407493683-(4-(2,3-dihydroxypropoxy)phenethyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateT286182,6-dimethyl-3-methoxycarbonyl-4-(3-nitrophenyl)-5-(2-[4-(2,3-dihydroxypropoxy)phenyl]ethoxycarbonyl)-1,4-dihydropyridine2-[4-(2,3-DIHYDROXYPROPOXY)PHENYL]ETHYL METHYL 2,6-DIMETHYL-4-(3-NITRO PHENYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE2-[4-(2,3-dihydroxypropoxy)phenyl]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 160 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 918
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