170591-47-6 (2(5H)-呋喃酮,3-[(2R)-9-[(2R,5S)-5-[(1S,4S)-4-[(2S,5R,6S)-6-癸基四氢呋喃-5-羟基-2H-吡喃-2-基]-1,4-二羟基丁基]四氢呋喃基]-2-羟基壬基]-5-甲基-(5S)-,2(5H)-Furanone,3-[(2R)-9-[(2R,5S)-5-[(1S,4S)-4-[(2S,5R,6S)-6-decyltetrahydro-5-hydroxy-2H-pyran-2-yl]-1,4-dihydroxybutyl]tetrahydro-2-furanyl]-2-hydroxynonyl]-5-methyl-,(5S)-)

CAS号:
170591-47-6
中文名称:
2(5H)-呋喃酮,3-[(2R)-9-[(2R,5S)-5-[(1S,4S)-4-[(2S,5R,6S)-6-癸基四氢呋喃-5-羟基-2H-吡喃-2-基]-1,4-二羟基丁基]四氢呋喃基]-2-羟基壬基]-5-甲基-(5S)-
英文名称:
2(5H)-Furanone,3-[(2R)-9-[(2R,5S)-5-[(1S,4S)-4-[(2S,5R,6S)-6-decyltetrahydro-5-hydroxy-2H-pyran-2-yl]-1,4-dihydroxybutyl]tetrahydro-2-furanyl]-2-hydroxynonyl]-5-methyl-,(5S)-
分子式:
C37H66O8
分子量:
638.915153026581

2(5H)-呋喃酮,3-[(2R)-9-[(2R,5S)-5-[(1S,4S)-4-[(2S,5R,6S)-6-癸基四氢呋喃-5-羟基-2H-吡喃-2-基]-1,4-二羟基丁基]四氢呋喃基]-2-羟基壬基]-5-甲基-(5S)-(170591-47-6)名称与标识符

名称

英文别名:
2(5H)-Furanone,3-[(2R)-9-[(2R,5S)-5-[(1S,4S)-4-[(2S,5R,6S)-6-decyltetrahydro-5-hydroxy-2H-pyran-2-yl]-1,4-dihydroxybutyl]tetrahydro-2-furanyl]-2-hydroxynonyl]-5-methyl-,(5S)-;2(5H)-Furanone,3-[(2R)-9-[(2R,5S)-5-[(1S,4S)-4-[(2S,5R,6S)-6-decyltetrahydro-5-hydroxy-2H-pyran-2-yl]-1,4-dihydroxybutyl]tetr;(-)-Mucocin;2(5H)-Furanone,3-[9-[5-[4-(6-decyltetrahydro-5-hydroxy-2H-pyran-2-yl)-1,4-dihydroxybutyl]tetrahydro-2-furanyl]-2-hydroxynonyl]-5-methyl-,[2S-[2a[1R*[2S*[S*(R*)],5R*],4R*],5b,6a]]-;Mucocin;3-(9-{5-[4-(6-decyl-5-hydroxyoxan-2-yl)-1,4-dihydroxybutyl]oxolan-2-yl}-2-hydroxynonyl)-5-methyl-2,5-dihydrofuran-2-one;170591-47-6;4-[9-[5-[4-(6-decyl-5-hydroxyoxan-2-yl)-1,4-dihydroxybutyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-uran-5-one;4-[9-[5-[4-(6-decyl-5-hydroxyoxan-2-yl)-1,4-dihydroxybutyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one;CHEBI:187417;(2S)-4-[(2R)-9-[(2R,5S)-5-[(1S,4S)-4-[(2S,5R,6S)-6-Decyl-5-hydroxyoxan-2-yl]-1,4-dihydroxybutyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one;(5S)-3-[(2R)-9-[(2R,5S)-5-[(1S,4S)-4-[(2S,5R,6S)-6-Decyltetrahydro-5-hydroxy-2H-pyran-2-yl]-1,4-dihydroxybutyl]tetrahydro-2-furanyl]-2-hydroxynonyl]-5-methyl-2(5H)-furanone;DTXSID101099099;

标识符

InChIKey:
PIKSSLVYUFERQJ-BWTWSPJZSA-N
Inchi:
1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-34-33(41)22-24-36(45-34)32(40)21-20-31(39)35-23-19-30(44-35)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,29+,30?,31-,32-,33+,34-,35-,36+/m0/s1
SMILES:
O1[C@@H](C)C=C(C[C@H](O)CCCCCCCC2CC[C@@H]([C@@H](O)CC[C@@H]([C@@H]3O[C@@H](CCCCCCCCCC)[C@H](O)CC3)O)O2)C1=O

2(5H)-呋喃酮,3-[(2R)-9-[(2R,5S)-5-[(1S,4S)-4-[(2S,5R,6S)-6-癸基四氢呋喃-5-羟基-2H-吡喃-2-基]-1,4-二羟基丁基]四氢呋喃基]-2-羟基壬基]-5-甲基-(5S)-(170591-47-6)物化性质

计算特性

  • 精确分子量 : 638.47576906g/mol
  • 氢键供体数量 : 4
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 24
  • 同位素质量 : 638.47576906g/mol
  • 重原子数量 : 45
  • 复杂度 : 833
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 9
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 8.2
  • 拓扑分子极性表面积 : 126Ų

2(5H)-呋喃酮,3-[(2R)-9-[(2R,5S)-5-[(1S,4S)-4-[(2S,5R,6S)-6-癸基四氢呋喃-5-羟基-2H-吡喃-2-基]-1,4-二羟基丁基]四氢呋喃基]-2-羟基壬基]-5-甲基-(5S)-(170591-47-6)相关文献