21H,23H-Porphine-7-propanoic acid, 3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-, tripotassium salt, (7S,8S)-
基本情報
- CAS
72984-37-3- 標準SMILES
C=CC1=C(C(=O)[O-])c2nc1cc1[nH]c(cc3[nH]c(cc4nc(c2CC(=O)[O-])[C@@H](CCC(=O)[O-])[C@@H]4C)c(C)c3C)c(C)c1CC.[K+].[K+].[K+]- InChIKey
WPDOYQSDONRIKQ-CGDNGBQWSA-K- 分子式
- C34H33K3N4O6
- 平均分子量
- 710.9 g/mol
- 単同位体質量
- 710.1311292
概要
See other relationships...
名称と識別子
- 優先名称
- 21H,23H-Porphine-7-propanoic acid, 3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-, tripotassium salt, (7S,8S)-
- IUPAC
- tripotassium;(17S,18S)-18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-3-ethenyl-7-ethyl-8,12,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylate
名称と別名
72984-37-3EINECS 277-171-5WPDOYQSDONRIKQ-CGDNGBQWSA-KDTXSID60134063721H,23H-Porphine-7-propanoic acid, 3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-, tripotassium salt, (7S,8S)-(7S,8S)-3-Carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphine-7-propanoic acid potassium (1:3)21H,23H-Porphine-7-propanoic acid, 3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-, potassium salt (1:3), (7S,8S)-Tripotassium (2S-trans)-18-carboxylato-20-(carboxylatomethyl)-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-8-vinyl-21H,23H-porphine-2-propionate
データベース識別子
- CAS
72984-37-3- PubChem CID
- 5491187
- DTXSID
DTXSID601340637- EC Number
- 277-171-5
物性
構造計算による物性
- 極性表面積
- 178 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 8
- 回転可能結合数
- 5
- 重原子数
- 47
- 形式電荷
- 0
- 複雑度
- 1,070
化学と産業
用途と製造
General Manufacturing Information21H,23H-Porphine-7-propanoic acid, 3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-, potassium salt (1:3), (7S,8S)-: INACTIVE
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