4-PENTYNOYL-COENZYME A, TRIFLUOROACETATE SALT

CAS号
CCD编号
CCD04184663
分子式
C26 H40 N7 O17 P3 S . C2 H F3 O2
分子量
961.644

基本信息

产品名称: 4-PENTYNOYL-COENZYME A, TRIFLUOROACETATE SALT
英文同义词: S-4-PENTYNOATE COENZYME A, TRIFLUOROACETATE SALT ; 4-PENTYNOYL-COENZYME A, TRIFLUOROACETATE SALT
MDL号: MFCD18428000
氢键受体数量: 24
氢键供体数量: 9
Smile: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC#C)O.C(=O)(C(F)(F)F)O
InChi: InChI=1S/C26H40N7O17P3S.C2HF3O2/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33;3-2(4,5)1(6)7/h1,13-15,19-21,25,36-37H,5-12H2,2-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41);(H,6,7)/t15-,19-,20-,21+,25-;/m1./s1
InChiKey: InChIKey=SIDLSNSJGSPOJG-WADKRTIVSA-N

* If the product has intellectual property rights, a license granted is must or contact us.