基本情報
- CAS
312904-18-0- 標準SMILES
C=CCN[C@H]1CC(C(=O)OCC)=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O- InChIKey
YAYJVAVBLBKVLR-RCCFBDPRSA-N- 分子式
- C19H32N2O4
- 平均分子量
- 352.5 g/mol
- 単同位体質量
- 352.23620751
名称と識別子
- 優先名称
- ethyl (3R,4R,5S)-4-acetamido-5-(allylamino)-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
- IUPAC
- ethyl (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(prop-2-enylamino)cyclohexene-1-carboxylate
- 英語名
- 312904-18-0
- 分子式
- C19H32N2O4
- 分子量
- 352.47
名称と別名
312904-18-0Oseltamivir Impurity 90ethyl (3R,4R,5S)-4-acetamido-5-(allylamino)-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylateEthyl (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(prop-2-enylamino)cyclohexene-1-carboxylate(3r,4r,5s)-4-acetylamino-5-allylamino-3-(1-ethyl-propoxy)-cyclohex-1-enecarboxylic acid ethyl ester(3R,4R,5S)-ethyl 4-acetamido-5-(allylamino)-3-(pentan-3-yloxy)cyclohex-1-enecarboxylateEthyl (3R,4R,5S)-4-(acetylamino)-3-(1-ethylpropoxy)-5-(2-propen-1-ylamino)-1-cyclohexene-1-carboxylateJGQ3BTA9FUSCHEMBL973660YAYJVAVBLBKVLR-RCCFBDPRSA-Nethyl (3R,4R,5S)-4-acetamido-3-(pentan-3-yloxy)-5-[(prop-2-en-1-yl)amino]cyclohex-1-ene-1-carboxylate(3R,4R,5S)-4-(acetylamino)-3-(l-ethylrhororhooxy)-5-(2-rhoropenylamino)-l-cyclohexene-1-carboxylic acid ethyl ester
名称をさらに表示
Oseltamivir Impurity 195Oseltamivir Impurity VIIIStandard product of Oseltamivir phosphate intermediate S001P02ethyl (3R,4R,5S)-4-acetamido-5-(allylamino)-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylateQ: What is ethyl (3R,4R,5S)-4-acetamido-5-(allylamino)-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate Q: What is the CAS Number of ethyl (3R,4R,5S)-4-acetamido-5-(allylamino)-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-3-(1-ethylpropoxy)-5-(2-propen-1-ylamino)-, ethyl ester, (3R,4R,5S)-1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-3-(1-ethylpropoxy)-5-(2-propenylamino)-, ethyl ester, (3R,4R,5S)-
データベース識別子
- CAS
312904-18-0- PubChem CID
- 10784209
- UNII
- JGQ3BTA9FU
物性
構造計算による物性
- XLogP
- 2.3
- 極性表面積
- 76.7 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 11
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 486
物理化学的性質
- 融点
- 100 · 100-104 °C
- 沸点
- 507.6 · 507.6±50.0 °C(Predicted)
- 比重(密度)
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 14.71 · 14.71±0.70(Predicted)
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