1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde, dihydro-7-hydroxy-6-methyl-1-(1-methylethyl)-5-oxo-, [1S-(1.alpha.,6.alpha.,7.alpha.,7a.alpha.)]- (9CI)

1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde, dihydro-7-hydroxy-6-methyl-1-(1-methylethyl)-5-oxo-, [1S-(1.alpha.,6.alpha.,7.alpha.,7a.alpha.)]- (9CI) 基本信息
CAS号 145452-03-5 分子式 C11H17NO4
分子量 227.26056 精确质量  227.11576
PSA  66.8 A2 LogP  1.895±0.812

基本信息 展开↓

CAS号:
145452-03-5
3D弹球模型:
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分子式:
C11H17NO4
分子量:
227.26056
英文名称:
1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde, dihydro-7-hydroxy-6-methyl-1-(1-methylethyl)-5-oxo-, [1S-(1.alpha.,6.alpha.,7.alpha.,7a.alpha.)]- (9CI)
英文别名:
1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde, dihydro-7-hydroxy-6-methyl-1-(1-methylethyl)-5-oxo-, [1S-(1.alpha.,6.alpha.,7.alpha.,7a.alpha.)]- (9CI);
1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde, dihydro-7-hydroxy-6-methyl-1-(1-methylethyl)-5-oxo-, [1S-(1α,6α,7α,7aα)]- (9CI);
(3R,4S,5R,6S)-1-Aza-4-hydroxy-5-formyl-6-isopropyl-3-methyl-7-oxabicycl[3.3.0]octan-2-one;
(3R,4S,5R,6S)-1-AZA-4-HYDROXY-5-FORMYL-6-ISOPROPYL-3-METHYL-7-OXABICYCL[3.3.0]OCTAN-2-ONE
精确分子量/精确质量:
227.11576
极性分子表面积/PSA:
66.8 A2
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: UTCWMATZCOOTEA-HJGDQZAQSA-N

物化性质展开↓

密度:
1.25±0.1 g/cm3
沸点:
402.0±45.0 °C
闪点:
196.9±28.7 °C
水溶解性:
Slightly Soluble (5.2 g/L)
蒸汽密度:
3.89E-8 Torr

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