5H-噁丙烯并[3,4]环戊二烯并[1,2-d][1,3]二噁唑,四氢-3,3-二甲基-5-(甲硫基)-,(1aS,1bR,4aR,5R,5aS)-

CAS号
87935-97-5
CCD编号
CCD08008820
分子式
C35 H60 N7 O17 P3 S
分子量
975.879

基本信息

产品名称: 5H-噁丙烯并[3,4]环戊二烯并[1,2-d][1,3]二噁唑,四氢-3,3-二甲基-5-(甲硫基)-,(1aS,1bR,4aR,5R,5aS)-
CAS: 87935-97-5
中文同义词: 5H-噁丙烯并[3,4]环戊二烯并[1,2-d][1,3]二噁唑,四氢-3,3-二甲基-5-(甲硫基)-,(1aS,1bR,4aR,5R,5aS)-
英文同义词: CIS-9-TETRADECENOYL COENZYME A ; MYRISTOLEOYL COENZYME A
MDL号: MFCD00079459
氢键受体数量: 24
氢键供体数量: 9
Smile: CCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
InChi: InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h7-8,22-24,28-30,34,45-46H,4-6,9-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b8-7-/t24-,28-,29-,30?,34-/m1/s1
InChiKey: InChIKey=GIIFECKTWKZXGU-FHIGJDMPSA-N

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