基本情報
- CAS
104060-12-0- 標準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- 分子式
- C27H30N2O9
- 平均分子量
- 526.5 g/mol
- 単同位体質量
- 526.19513054
名称と識別子
- 優先名称
- 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
- 現地名
- 2,6-ジメチル-4-(3-ニトロフェニル)-1,4-ジヒドロピリジン-3,5-ジカルボン酸3-[2-[4-(2,3-ジヒドロキシプロポキシ)フェニル]エチル]5-メチル
- 英語名
- 2-[4-(2,3-dihydroxypropoxy)phenyl]ethyl methyl 2,6-dimethyl-4-(3-nitro phenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- 分子式
- C27H30N2O9
- 分子量
- 0
名称と別名
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
名称をさらに表示
2,6-ジメチル-4-(3-ニトロフェニル)-1,4-ジヒドロピリジン-3,5-ジカルボン酸3-[2-[4-(2,3-ジヒドロキシプロポキシ)フェニル]エチル]5-メチル3-{2-[4-(2,3-ジヒドロキシプロポキシ)フェニル]エチル} 5-メチル 2,6-ジメチル-4-(3-ニトロフェニル)-1,4-ジヒドロピリジン-3,5-ジカルボキシラート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
データベース識別子
- CAS
104060-12-0- PubChem CID
- 128487
- DTXSID
DTXSID60908775- UNII
- QKX40Y8NJN
- Nikkaji
- J401.550I
物性
構造計算による物性
- XLogP
- 3.1
- 極性表面積
- 160 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 10
- 回転可能結合数
- 12
- 重原子数
- 38
- 形式電荷
- 0
- 複雑度
- 918
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関連反応
5 件
化合物ノート
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