2(3H)-呋喃酮,二氢-5-[(1R,2R)-2-羟基-2-甲基-5-氧代-3-环戊烯-1-基]-3-亚甲基-4-(3-氧代丁基)-,(4S,5S)- | 103063-09-8
2(3H)-呋喃酮,二氢-5-[(1R,2R)-2-羟基-2-甲基-5-氧代-3-环戊烯-1-基]-3-亚甲基-4-(3-氧代丁基)-,(4S,5S)-
2(3H)-Furanone,dihydro-5-[(1R,2R)-2-hydroxy-2-methyl-5-oxo-3-cyclopenten-1-yl]-3-methylene-4-(3-oxobutyl)-,(4S,5S)-
103063-09-8
C15H18O5
278.300425052643
名称和标识符
InChIKey |
RTOGTHJTQOMSQZ-QMPIGLIWSA-N |
Inchi |
1S/C15H18O5/c1-8(16)4-5-10-9(2)14(18)20-13(10)12-11(17)6-7-15(12,3)19/h6-7,10,12-13,19H,2,4-5H2,1,3H3/t10-,12+,13-,15+/m0/s1 |
SMILES |
O1[C@H]([C@H]2C(=O)C=C[C@]2(O)C)[C@@H](CCC(=O)C)C(=C)C1=O |
别名信息
- 英文别名 -
- 2(3H)-Furanone,dihydro-5-[(1R,2R)-2-hydroxy-2-methyl-5-oxo-3-cyclopenten-1-yl]-3-methylene-4-(3-oxobutyl)-,(4S,5S)-
- 2(3H)-Furanone,dihydro-5-(2-hydroxy-2-methyl-5-oxo-3-cyclopenten-1-yl)-3-methylene-4-(3-oxobutyl)-,[4S-[4a,5b(1S*,2S*)]]-
- seco-Tanapartholide B
- Secotanapartholide B
- 2(3H)-Furanone, dihydro-5-[(1R,2R)-2-hydroxy-2-methyl-5-oxo-3-cyclopenten-1-yl]-3-methylene-4-(3-oxobutyl)-, (4S,5S)-
物化性质
实验特性
PSA |
80.67 |
沸点 |
506.8±50.0 °C(Predicted) |
酸度系数(pKa) |
12.58±0.40(Predicted) |
密度 |
1.24±0.1 g/cm3(Predicted) |
计算特性
精确分子量 |
278.11544 |
氢键供体数量 |
1 |
氢键受体数量 |
5 |
重原子数量 |
20 |
疏水参数计算参考值(XlogP) |
-0.353 |